data_2lz3_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 2lz3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 108.333 -0.988 . . . . 999.99000000000001 108.333 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.47 -32.39 81.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.415 -1.074 . . . . 128.44999999999999 110.415 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.13 81.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.703 -0.249 . . . . 208.13 111.459 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.08 -43.89 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.338 . . . . 318.06999999999999 110.398 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.484 ' C ' ' H ' ' A' ' 11' ' ' LEU . 1.4 mt -63.09 -39.29 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.186 -0.461 . . . . 853.96000000000004 110.936 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -17.13 0.13 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.062 -0.815 . . . . 97.269999999999996 111.062 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 9' ' ' ILE . 57.8 mt -77.95 -34.18 51.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 232.13999999999999 110.689 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' ILE . 22.8 ttt -60.19 -63.66 1.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.003 -0.544 . . . . 164.36000000000001 110.718 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.49 -20.58 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.22 -0.446 . . . . 126.38 110.299 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -55.78 25.51 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.185 -0.766 . . . . 25.850000000000001 111.185 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.56 -36.82 79.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.627 -0.589 . . . . 11.98 111.627 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.05 -18.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.761 -0.258 . . . . 105.25 110.747 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.8 t -67.41 -22.28 28.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.392 0.615 . . . . 275.13999999999999 109.825 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -24.05 29.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.389 -0.823 . . . . 332.63 110.08 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.66 -58.71 7.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.428 -0.351 . . . . 88.540000000000006 110.993 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -52.56 -38.29 59.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 140.38 111.069 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.39 -50.7 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.645 -0.502 . . . . 153.34 109.645 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -56.1 -44.59 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.077 -0.712 . . . . 92.510000000000005 109.077 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.2 t -65.93 -43.63 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.388 . . . . 108.48999999999999 111.165 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.7 mt -52.13 -49.22 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 121.018 -0.273 . . . . 280.69999999999999 111.52 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.74 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.259 -0.576 . . . . 122.14 110.14 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -42.17 98.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.793 -0.639 . . . . 185.81 109.663 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.0 t -55.62 -23.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.654 0.264 . . . . 186.5 110.826 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtt -80.05 -34.86 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.981 0.42 . . . . 275.27999999999997 110.673 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.3 mt -78.49 -19.8 52.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 591.28999999999996 110.9 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -61.89 -41.49 97.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.759 -0.377 . . . . 762.67999999999995 110.983 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -95.75 11.58 33.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.851 -0.34 . . . . 764.60000000000002 110.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.053 -0.975 . . . . 999.99000000000001 110.705 179.168 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.334 -0.987 . . . . 999.99000000000001 108.334 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.42 81.62 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.38 -1.088 . . . . 128.27000000000001 110.38 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.14 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.683 -0.259 . . . . 205.63 111.487 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.05 -43.88 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.79 0.329 . . . . 320.94999999999999 110.376 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' B' ' 12' ' ' MET . 1.4 mt -63.06 -39.38 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.21 -0.45 . . . . 855.76999999999998 110.923 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.41 -17.15 0.12 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.004 -0.838 . . . . 97.5 111.004 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' B' ' 9' ' ' ILE . 57.4 mt -77.99 -34.17 51.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 233.56999999999999 110.716 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.485 ' N ' ' O ' ' B' ' 9' ' ' ILE . 22.9 ttt -60.11 -63.76 1.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.016 -0.538 . . . . 166.72999999999999 110.72 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.41 -20.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 126.59 110.357 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.4 -55.79 25.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.181 -0.768 . . . . 25.75 111.181 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.92 79.73 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.617 -0.593 . . . . 12.24 111.617 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -49.08 -18.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.619 0.247 . . . . 105.22 110.747 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.54 -22.15 28.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 CA-C-O 121.356 0.598 . . . . 275.72000000000003 109.804 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.21 -24.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.386 -0.824 . . . . 329.24000000000001 110.032 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.63 -58.78 7.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.817 0.341 . . . . 87.629999999999995 111.005 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 141.19999999999999 111.022 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.38 -50.68 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.667 -0.494 . . . . 152.53 109.667 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -56.05 -44.61 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.082 -0.71 . . . . 92.560000000000002 109.082 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.0 -43.63 92.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.304 -0.407 . . . . 108.48999999999999 111.144 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.16 -49.24 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 121.055 -0.258 . . . . 278.56999999999999 111.487 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.75 -37.75 88.66 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.207 -0.597 . . . . 121.34 110.129 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.81 -42.16 98.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.845 -0.616 . . . . 183.36000000000001 109.689 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.62 -23.26 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.673 0.273 . . . . 186.59999999999999 110.787 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 36.4 mtt -80.12 -34.68 37.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.95 0.405 . . . . 273.55000000000001 110.679 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.61 -19.66 52.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 589.84000000000003 110.928 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -61.93 -41.55 98.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.815 -0.354 . . . . 756.97000000000003 110.945 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -95.73 11.6 32.91 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.865 -0.334 . . . . 761.57000000000005 110.468 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.033 -0.984 . . . . 999.99000000000001 110.677 179.224 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.27 95.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.54 96.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.688 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.17 -42.86 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' MET . 98.0 mt -61.81 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.69 0.09 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.5 mt -77.37 -36.18 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.809 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.3 ttt -59.53 -63.9 1.14 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.64 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.29 -20.32 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.01 15.35 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.57 -38.02 69.62 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 t -47.11 -19.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.69 0.281 . . . . 0.0 110.606 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' GLY . 82.0 t -66.94 -21.25 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-O 121.365 0.603 . . . . 0.0 109.818 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -25.79 38.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.33 -59.23 5.3 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.955 0.407 . . . . 0.0 111.839 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 -37.37 59.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.257 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.5 t -61.87 -49.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.77 -44.67 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.37 -42.55 93.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.921 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.9 mt -52.43 -49.64 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.267 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.46 -35.51 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.071 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.56 -23.46 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.699 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.1 mtt -77.31 -34.6 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 110.618 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.49 -17.54 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.622 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 67.9 mttm -63.85 -42.22 97.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.596 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -96.18 5.1 51.81 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.944 0.402 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.671 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.45 96.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.53 96.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.726 0.298 . . . . 0.0 110.774 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.06 -42.84 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.618 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 12' ' ' MET . 98.2 mt -61.82 -43.26 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.531 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.76 0.09 OUTLIER Glycine 0 CA--C 1.527 0.822 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' B' ' 9' ' ' ILE . 52.4 mt -77.26 -36.3 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.793 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.497 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.4 ttt -59.49 -63.81 1.17 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.702 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.42 -20.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.75 -57.05 15.61 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.7 -37.86 70.14 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 t -47.19 -19.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.657 0.265 . . . . 0.0 110.577 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.87 -21.28 28.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 CA-C-O 121.423 0.63 . . . . 0.0 109.825 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.25 -25.74 38.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.29 -59.19 5.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.984 0.421 . . . . 0.0 111.904 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -37.25 61.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.139 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.88 -49.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.81 -44.51 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.53 -42.6 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.872 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -52.52 -49.6 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.173 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.39 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.286 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.81 -39.76 95.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.09 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.57 -23.5 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.3 mtt -77.22 -34.62 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.949 0.404 . . . . 0.0 110.611 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.45 -17.57 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.622 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 67.9 mttm -63.84 -42.29 97.64 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.693 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -96.11 5.18 51.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.648 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 -29.05 70.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.52 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.7 -43.56 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -61.84 -42.96 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.43 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.72 -19.47 0.11 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' ILE . 47.2 mt -80.47 -33.73 36.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.6 ttt -61.45 -63.14 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.55 -19.22 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.478 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.15 -58.65 9.19 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -52.13 -38.69 48.7 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -45.75 -18.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.835 0.35 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' N ' ' C ' ' A' ' 15' ' ' GLY . 8.9 p -67.64 -25.76 33.72 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.2 mt -52.69 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.64 -55.62 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 2.0 t -47.68 -40.8 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' THR . 77.3 t -63.26 -51.16 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 25' ' ' THR . 73.4 mt -54.9 -47.16 76.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.68 -42.29 94.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.015 0.436 . . . . 0.0 110.212 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.54 -53.66 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.141 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 22' ' ' ILE . 1.8 t -60.63 -36.68 79.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.435 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.68 -39.39 93.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.4 -23.39 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.43 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.82 -36.06 62.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.83 -20.93 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.701 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 65.8 mttm -63.32 -40.67 97.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -92.19 3.53 55.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.571 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -29.92 72.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.15 93.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.413 HD11 HG22 ' B' ' 8' ' ' ILE . 96.8 mt -67.44 -43.25 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.825 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.3 mm -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.319 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.22 -19.5 0.13 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 9' ' ' ILE . 47.2 mt -80.3 -33.44 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.5 ttt -61.57 -63.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.63 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.43 -19.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.572 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.97 -58.71 9.2 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' B' ' 17' ' ' VAL . . . -52.02 -38.5 47.39 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -45.88 -18.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.81 0.338 . . . . 0.0 110.636 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.432 ' H ' ' C ' ' B' ' 15' ' ' GLY . 9.1 p -67.78 -25.06 31.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 93.2 mt -53.4 -20.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.65 12.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.208 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 1.9 t -47.58 -41.14 20.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.3 t -63.23 -50.85 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.744 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' B' ' 25' ' ' THR . 75.5 mt -54.86 -47.36 75.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.72 -42.65 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 0.0 110.249 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -50.83 -53.99 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.147 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 22' ' ' ILE . 2.0 t -60.8 -36.03 77.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.21 0.319 . . . . 0.0 110.474 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.04 -39.66 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.1 -22.96 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.39 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -75.51 -36.5 60.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.45 -20.55 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 65.2 mttm -63.67 -41.39 98.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.762 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -91.32 3.53 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.608 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.85 -22.35 69.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.6 -29.45 16.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.72 0.295 . . . . 0.0 110.93 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.98 -43.17 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.78 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' MET . 2.3 pp -61.35 -39.18 81.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.792 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.5 -19.42 0.27 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 9' ' ' ILE . 57.9 mt -77.41 -35.35 54.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.457 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.8 ttt -59.69 -63.31 1.35 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.487 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.31 -19.23 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.14 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.9 -58.15 13.14 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.81 -38.2 72.57 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -46.88 -19.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 122.614 -0.344 . . . . 0.0 110.906 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 15' ' ' GLY . 92.6 t -68.53 -23.63 28.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-O 121.266 0.555 . . . . 0.0 110.582 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 18' ' ' ILE . 97.0 mt -54.6 -21.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.152 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.79 -54.18 30.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.184 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -51.31 -39.75 57.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.805 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.88 -49.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.87 -48.49 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.407 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.77 -42.33 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.824 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.18 -49.77 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.473 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.78 -36.36 84.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.521 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.61 -40.15 96.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.437 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.51 -23.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.789 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.9 mtt -76.32 -34.24 59.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 109.972 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -74.89 -19.8 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.498 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.23 -42.15 99.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.573 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -94.24 5.19 52.54 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.98 -22.26 69.17 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.76 -29.28 16.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.987 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.12 -43.19 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 12' ' ' MET . 2.3 pp -61.26 -39.29 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.816 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -19.29 0.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.1 mt -77.52 -35.28 53.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 110.419 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.496 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.8 ttt -59.67 -63.3 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.52 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.36 -19.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.22 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.11 13.26 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.83 -38.19 72.68 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -46.83 -19.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.547 -0.384 . . . . 0.0 110.937 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.62 -23.61 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 110.52 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.63 -21.03 6.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.155 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.68 -54.3 29.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 111.173 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -51.21 -39.76 57.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.928 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.85 -49.82 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.02 -48.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.396 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.71 -42.35 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.823 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.6 mt -53.14 -49.8 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.437 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.82 -36.33 83.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.476 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.51 -40.29 96.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.473 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.47 -23.93 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.758 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.6 mtt -76.38 -34.22 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.996 0.427 . . . . 0.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.94 -19.79 59.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.542 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.09 -42.1 99.55 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -94.35 5.13 52.73 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.896 0.379 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.71 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.75 -24.24 71.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 -31.11 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.532 0.206 . . . . 0.0 110.952 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.0 -43.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.869 0.366 . . . . 0.0 110.665 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' MET . 30.1 pt -61.16 -33.1 54.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.54 -17.73 0.28 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 9' ' ' ILE . 51.7 mt -79.05 -34.62 43.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.718 0.294 . . . . 0.0 110.867 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ILE . 27.7 ttt -60.85 -63.89 1.14 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.667 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.63 -20.36 21.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.0 22.52 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.72 -37.39 76.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -47.43 -19.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.59 0.233 . . . . 0.0 110.588 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' GLY . 93.0 t -67.04 -21.06 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.602 0.715 . . . . 0.0 109.734 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 18' ' ' ILE . 96.5 mt -61.68 -24.76 34.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.67 -58.99 5.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 111.897 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -37.1 61.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.649 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.84 -49.15 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -55.78 -44.55 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.3 t -66.16 -42.2 90.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.829 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.03 -50.81 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.126 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.82 -37.13 86.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 110.692 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.95 -39.18 91.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.03 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.47 -23.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.67 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmm -75.41 -36.66 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.32 -18.49 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.38 -42.69 96.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.789 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -95.78 3.36 53.86 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.502 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.88 -23.94 71.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.85 -31.15 23.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.504 0.192 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.97 -43.41 92.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 110.672 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' MET . 29.9 pt -61.2 -32.96 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.77 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.78 -17.58 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.443 ' N ' ' C ' ' B' ' 9' ' ' ILE . 51.3 mt -79.06 -34.67 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.444 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.8 ttt -60.75 -63.92 1.13 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.676 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.63 -20.41 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.06 22.16 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.71 -37.19 75.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 18.1 t -47.5 -19.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.578 0.228 . . . . 0.0 110.625 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 15' ' ' GLY . 93.3 t -67.08 -20.99 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 109.814 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.75 -24.66 34.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.88 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -59.01 5.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 111.862 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -37.04 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.696 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.9 -49.24 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.68 -44.54 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.3 -42.14 90.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.93 -50.92 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.123 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -63.81 -37.17 86.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.712 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.88 -39.26 91.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.975 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.42 -23.61 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 13.0 mmm -75.45 -36.81 60.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.17 -18.55 60.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.38 -42.66 96.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.772 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -95.66 3.23 54.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.534 -179.856 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.62 93.64 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.29 90.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.632 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.9 -43.06 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.599 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' MET . 96.9 mt -62.58 -42.8 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.392 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.74 -19.66 0.34 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 9' ' ' ILE . 52.4 mt -76.68 -32.37 57.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -64.31 -63.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -55.73 -20.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.94 -56.73 16.94 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.417 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.12 -40.72 67.56 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -46.99 -19.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 122.574 -0.368 . . . . 0.0 110.661 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' N ' ' C ' ' A' ' 15' ' ' GLY . 93.0 t -70.99 -25.73 26.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 CA-C-O 121.037 0.446 . . . . 0.0 110.357 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.0 -21.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.192 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -57.04 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 111.264 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 1.8 t -48.34 -40.59 25.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.794 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' A' ' 20' ' ' THR . 75.4 t -64.38 -51.8 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.343 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -52.49 -47.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.64 -44.94 98.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.458 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.53 -54.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.539 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.87 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 mt -52.78 -48.08 67.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.357 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 30' ' ' LYS . 54.5 t -49.58 -58.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.214 -0.594 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -43.7 -40.57 4.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.013 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.2 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 111.058 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.699 ' HZ3' ' HZ3' ' B' ' 30' ' ' LYS . 98.2 mttt -82.16 -8.64 59.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -124.77 0.03 8.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.435 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.97 92.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.2 90.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.93 -43.05 89.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.597 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 12' ' ' MET . 96.9 mt -62.67 -42.96 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.508 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.49 -19.45 0.27 Allowed Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' B' ' 9' ' ' ILE . 51.8 mt -76.53 -33.19 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.984 0.421 . . . . 0.0 110.733 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.481 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -63.59 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.864 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -55.93 -20.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.9 -56.69 17.24 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.12 -40.68 67.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 t -47.12 -19.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.645 -0.327 . . . . 0.0 110.583 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.19 -25.5 25.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 121.069 0.462 . . . . 0.0 110.395 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 41.8 mm -56.34 -21.12 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.22 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -57.1 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.351 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 1.9 t -48.37 -40.55 26.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.417 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.0 t -64.35 -51.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.284 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.7 mt -52.47 -47.4 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.75 -44.91 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.407 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.61 -53.9 22.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.503 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -66.03 -41.23 91.21 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.918 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 mt -52.53 -48.08 66.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' B' ' 30' ' ' LYS . 54.9 t -49.66 -58.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.921 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.8 mtt -43.56 -40.62 4.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.986 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' B' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.26 60.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.712 0.291 . . . . 0.0 111.003 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.699 ' HZ3' ' HZ3' ' A' ' 30' ' ' LYS . 98.2 mttt -82.02 -8.33 59.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -125.22 0.3 7.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.753 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.395 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.09 -22.92 72.79 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.07 -31.77 25.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.52 -43.61 90.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 12' ' ' MET . 27.9 pt -62.61 -34.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.81 -16.9 0.23 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' A' ' 9' ' ' ILE . 56.6 mt -79.68 -32.37 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.765 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.06 -63.61 1.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 -179.428 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.549 ' N ' ' SD ' ' A' ' 12' ' ' MET . 27.7 m -59.32 -21.01 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.648 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.47 -55.67 21.82 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.99 -39.46 68.98 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 t -46.45 -20.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.594 0.235 . . . . 0.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' A' ' 15' ' ' GLY . 97.3 t -68.09 -21.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 0.0 110.165 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -24.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.921 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -59.55 4.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.708 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.16 -35.97 62.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.43 -55.56 20.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-O 121.22 0.534 . . . . 0.0 110.041 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 25' ' ' THR . 67.4 mt -46.3 -39.83 3.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.1 -42.19 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.391 0.615 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -40.97 -51.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.659 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 22' ' ' ILE . 3.1 t -59.18 -37.72 78.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.776 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.46 -26.88 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.589 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.9 mtt -73.62 -35.0 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -76.11 -21.31 56.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.623 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 68.4 mttm -67.33 -42.6 83.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.955 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.02 0.31 57.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.759 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.449 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.64 -23.23 73.82 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.9 -31.46 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.755 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.55 -43.59 90.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.446 ' C ' ' H ' ' B' ' 11' ' ' LEU . 27.5 pt -63.01 -34.36 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.616 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.98 -16.87 0.24 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' B' ' 9' ' ' ILE . 57.3 mt -79.76 -32.83 41.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 110.821 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -64.58 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.829 -179.433 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.545 ' N ' ' SD ' ' B' ' 12' ' ' MET . 27.9 m -59.48 -20.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.722 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.57 -55.59 22.07 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.8 -39.67 68.73 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 13.2 t -46.25 -20.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.597 0.237 . . . . 0.0 110.672 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.66 -21.22 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.786 0.803 . . . . 0.0 110.127 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.408 HG22 HD11 ' B' ' 18' ' ' ILE . 96.1 mt -62.38 -24.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.878 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.22 -59.52 4.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.685 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.17 -36.13 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.232 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.18 -55.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.22 0.534 . . . . 0.0 110.047 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.446 ' O ' HG22 ' B' ' 25' ' ' THR . 68.3 mt -46.74 -39.65 4.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.26 -42.2 94.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.298 0.571 . . . . 0.0 110.747 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.8 mt -40.9 -51.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.618 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.446 HG22 ' O ' ' B' ' 22' ' ' ILE . 3.2 t -59.25 -38.14 79.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.76 -39.6 94.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.551 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.9 -26.73 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.571 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.7 mtt -73.65 -34.9 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.24 -21.4 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.716 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.623 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 68.0 mttm -67.32 -42.33 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.29 0.31 57.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.509 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -29.42 24.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.653 0.263 . . . . 0.0 110.763 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.415 HD11 HG21 ' A' ' 8' ' ' ILE . 92.4 mt -64.73 -43.6 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.666 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -63.66 -27.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.668 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.2 -20.65 7.06 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.91 -32.86 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.876 0.37 . . . . 0.0 110.673 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.09 -63.53 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.401 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -58.22 -20.78 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.32 -56.38 20.38 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.55 -38.89 72.64 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -46.86 -18.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.8 0.333 . . . . 0.0 110.72 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 15' ' ' GLY . 95.4 t -69.93 -23.79 25.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 121.006 0.432 . . . . 0.0 110.213 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 18' ' ' ILE . 96.9 mt -54.97 -21.78 8.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -56.83 12.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.324 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 1.7 t -48.88 -41.26 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' A' ' 20' ' ' THR . 95.2 t -63.35 -50.57 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.139 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.6 -47.51 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.16 -43.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.994 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.91 -52.79 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.232 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -62.91 -37.46 87.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.752 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 30' ' ' LYS . 11.5 mt -61.47 -43.18 99.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 78.2 t -54.65 -69.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.231 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.83 -36.1 11.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.804 0.335 . . . . 0.0 110.699 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt -78.63 -20.97 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.807 0.337 . . . . 0.0 110.462 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' LEU . 28.9 ttmt -62.5 -44.3 96.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.191 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -100.98 12.92 36.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.569 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.91 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.07 -29.46 24.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.672 0.273 . . . . 0.0 110.786 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.637 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -63.72 -27.25 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.673 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.4 -20.49 7.3 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.6 mt -77.08 -32.66 56.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.0 110.639 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' B' ' 12' ' ' MET . 0.4 OUTLIER -64.25 -63.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.312 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.41 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.8 m -58.21 -20.81 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.37 -56.33 20.55 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.49 -38.99 72.29 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -46.88 -18.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.655 -0.321 . . . . 0.0 110.654 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.433 ' N ' ' C ' ' B' ' 15' ' ' GLY . 95.4 t -70.01 -23.74 25.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.016 0.436 . . . . 0.0 110.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.91 -21.85 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.208 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.92 11.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 1.7 t -48.73 -41.3 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.741 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' B' ' 20' ' ' THR . 92.5 t -63.34 -50.49 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.135 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.67 -47.44 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.28 -43.53 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.923 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.96 -52.64 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.28 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.06 -37.38 86.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.705 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' B' ' 30' ' ' LYS . 11.4 mt -61.59 -43.25 99.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.243 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LYS . 76.9 t -54.5 -69.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.239 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.85 -35.94 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.645 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.75 -21.13 48.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.847 0.356 . . . . 0.0 110.45 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' B' ' 26' ' ' LEU . 28.9 ttmt -62.4 -44.12 97.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -101.28 12.95 36.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.462 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.55 -22.43 69.69 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.52 -28.63 28.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.47 -44.09 87.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.937 0.399 . . . . 0.0 110.684 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 pt -59.71 -36.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.44 -22.91 4.05 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -77.84 -34.36 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.3 ttt -62.91 -63.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.605 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.08 -21.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.393 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.24 -56.21 21.57 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -55.03 -39.46 69.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 t -45.92 -16.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.712 0.291 . . . . 0.0 110.855 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' GLY . 88.1 t -70.65 -23.23 24.0 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.24 -21.72 6.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.151 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.0 -57.44 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.265 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 1.9 t -47.93 -40.96 23.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' N ' ' CG2' ' A' ' 20' ' ' THR . 96.2 t -64.96 -51.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -51.39 -47.99 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.86 -45.51 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.424 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.93 -55.28 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.822 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.25 -39.2 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.969 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.08 -47.91 83.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.223 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.4 t -50.41 -64.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.989 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.7 mtt -45.3 -37.76 5.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.624 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.42 -32.28 66.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' VAL . 47.9 mttp -66.45 -42.85 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.908 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.48 0.11 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.5 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.31 -22.68 69.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.14 -28.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.694 0.283 . . . . 0.0 110.772 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.46 -44.02 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.644 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 12' ' ' MET . 16.7 pt -59.73 -36.92 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.3 -22.77 3.73 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -78.15 -33.68 50.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.559 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 9' ' ' ILE . 11.6 ttt -63.46 -63.54 1.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -59.14 -21.49 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.05 22.7 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' B' ' 17' ' ' VAL . . . -55.03 -39.48 69.46 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.7 t -45.95 -16.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' B' ' 15' ' ' GLY . 83.9 t -70.58 -23.17 24.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -54.34 -21.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.255 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -57.33 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.358 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 1.9 t -48.1 -41.05 25.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.426 ' N ' ' CG2' ' B' ' 20' ' ' THR . 97.0 t -64.69 -51.47 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.146 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.43 -47.86 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.07 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.503 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.8 -55.31 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.1 t -64.3 -39.18 93.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.948 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.11 -47.91 83.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.312 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 30' ' ' LYS . 63.9 t -50.5 -64.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.958 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.6 mtt -45.22 -37.82 4.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.36 -32.29 66.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 0.0 110.967 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' B' ' 27' ' ' VAL . 47.9 mttp -66.35 -42.63 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.963 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.73 0.23 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.635 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.37 -33.29 80.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.38 83.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.699 0.285 . . . . 0.0 110.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.5 -42.91 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 110.692 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 35.0 mm -61.78 -43.33 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.39 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.66 -20.02 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.4 mt -76.88 -36.04 57.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.906 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' ILE . 26.7 ttt -59.72 -64.0 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.739 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.92 -20.76 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.45 -61.43 5.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.76 -38.81 74.55 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.0 t -45.56 -19.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.347 . . . . 0.0 110.607 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 15' ' ' GLY . 84.2 t -62.14 -18.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.601 0.715 . . . . 0.0 110.18 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.17 -31.28 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.2 -60.77 3.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.905 0.383 . . . . 0.0 111.34 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -52.61 -38.8 60.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.303 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.8 -51.06 77.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.31 -44.28 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.32 -42.45 93.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.021 0.439 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.12 -50.72 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.418 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.32 -35.84 82.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.68 -39.35 91.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.38 -22.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmm -76.43 -37.17 57.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.1 -16.9 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.474 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.75 -41.89 97.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.88 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -91.74 6.45 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.609 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.697 -179.654 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.45 82.72 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.59 82.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.69 0.281 . . . . 0.0 110.609 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.44 -42.85 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 11' ' ' LEU . 35.2 mm -61.67 -43.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.78 -19.85 0.07 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.8 mt -77.02 -36.16 56.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.964 0.411 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.1 ttt -59.36 -63.89 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.625 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.39 -20.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.533 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.51 -61.42 5.98 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -55.93 -38.75 76.07 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 83.4 t -45.59 -19.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.977 0.417 . . . . 0.0 110.644 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 15' ' ' GLY . 88.3 t -62.14 -18.69 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.562 0.696 . . . . 0.0 110.123 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 tt -63.35 -31.05 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.01 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.315 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -52.59 -38.75 60.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.91 -50.9 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.075 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.3 -44.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.32 -42.46 93.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.964 0.411 . . . . 0.0 110.577 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.11 -50.73 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.459 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.1 t -64.42 -35.9 82.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.968 0.413 . . . . 0.0 110.51 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.48 -39.58 91.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.031 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.38 -22.13 26.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.559 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmm -76.27 -37.16 57.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.06 -17.25 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.523 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.58 -41.85 98.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.872 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -91.87 6.32 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.862 -1.065 . . . . 0.0 110.599 -179.73 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.92 -32.64 80.58 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.53 79.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.656 0.265 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.87 -42.68 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 36.5 mm -57.36 -45.11 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.482 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.29 -19.01 0.12 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.3 mt -84.3 -36.36 22.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.595 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.09 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 -179.388 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -61.18 -21.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.489 . . . . 0.0 110.699 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.42 -54.06 31.81 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.536 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -56.53 -38.64 81.77 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -44.7 -16.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 O-C-N 122.767 -0.255 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.2 p -67.99 -19.29 24.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-O 121.917 0.865 . . . . 0.0 110.362 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.86 -23.74 30.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -59.2 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.059 0.457 . . . . 0.0 111.918 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -53.58 -36.79 62.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -54.4 31.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.86 -41.63 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -69.28 -44.16 80.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -49.55 -53.33 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.144 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -60.58 -43.32 97.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.46 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.32 -39.67 73.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.144 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.89 -24.68 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.601 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.1 mmm -74.1 -39.68 63.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.02 -21.06 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.627 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.708 ' HZ3' ' HZ3' ' B' ' 30' ' ' LYS . 67.0 mttm -70.34 -42.2 72.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.979 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -92.89 -3.97 53.66 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 117.558 -1.21 . . . . 0.0 110.701 -179.539 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -33.47 81.19 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.04 77.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.732 0.301 . . . . 0.0 110.695 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.19 -42.9 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' B' ' 12' ' ' MET . 38.1 mm -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.81 -18.9 0.14 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.3 mt -84.12 -35.8 23.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 110.594 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -61.95 -64.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.687 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.2 m -61.13 -21.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.053 0.454 . . . . 0.0 110.669 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.83 -53.91 31.53 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.51 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -56.43 -38.5 80.05 Favored Glycine 0 C--O 1.225 -0.447 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -44.94 -16.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.626 0.251 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' B' ' 15' ' ' GLY . 7.3 p -67.73 -19.2 24.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.832 0.825 . . . . 0.0 110.439 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.74 -23.88 30.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -59.22 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.897 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -53.84 -36.87 63.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.98 -54.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.031 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.59 -41.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.17 -44.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.844 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.7 -53.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.174 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -60.54 -42.97 97.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 110.396 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.56 -39.71 73.93 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.055 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.63 -24.84 35.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.509 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.2 mmm -73.95 -39.6 63.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 0.0 110.646 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -70.33 -20.99 62.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.708 ' HZ3' ' HZ3' ' A' ' 30' ' ' LYS . 67.1 mttm -70.36 -41.7 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -93.62 -4.02 51.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.702 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 117.577 -1.201 . . . . 0.0 110.741 -179.526 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.13 74.05 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.25 -32.74 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.635 0.255 . . . . 0.0 110.768 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.17 -43.72 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.784 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' MET . 23.0 pt -58.97 -33.12 49.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.3 0.52 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.9 mt -80.86 -31.19 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 9' ' ' ILE . 25.3 ttt -64.57 -63.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -58.97 -20.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.55 -56.88 14.66 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.65 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -53.59 -39.24 60.16 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -47.0 -19.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 O-C-N 122.621 -0.341 . . . . 0.0 110.465 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 20' ' ' THR . 94.1 t -69.61 -21.86 24.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 122.153 0.978 . . . . 0.0 110.12 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.0 mm -59.71 -18.81 15.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.091 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -56.64 5.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -50.42 -45.07 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.582 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.49 -47.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.01 -43.98 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.44 -40.8 85.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.059 0.457 . . . . 0.0 110.431 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.32 -50.12 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.089 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -63.8 -36.29 83.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.007 0.432 . . . . 0.0 110.006 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.81 -39.59 94.6 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.401 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.38 -22.6 28.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -33.36 42.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.633 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.39 -19.74 59.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.95 -41.59 97.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.635 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HZ2' ' CB ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -92.17 4.63 52.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.513 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 tttm . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.85 -26.93 73.79 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.32 -31.97 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.743 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.8 -43.6 93.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.669 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' B' ' 12' ' ' MET . 23.2 pt -59.25 -33.55 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.648 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.76 -19.13 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.6 mt -80.86 -31.47 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.689 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.465 ' N ' ' O ' ' B' ' 9' ' ' ILE . 24.5 ttt -64.47 -63.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.9 m -58.96 -19.89 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.5 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.74 -56.91 14.05 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -53.53 -39.43 60.21 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 t -47.0 -19.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.63 -0.336 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 15' ' ' GLY . 97.3 t -69.66 -21.89 24.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-O 122.145 0.974 . . . . 0.0 110.1 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.55 -18.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.18 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.88 -56.47 5.15 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER -50.41 -44.36 55.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.536 -179.185 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.99 -47.37 93.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 64.2 mt -55.09 -44.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.21 -40.44 85.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.0 0.429 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 mm -52.73 -50.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.92 -35.99 82.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.093 0.473 . . . . 0.0 110.037 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.99 -39.85 95.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.408 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.27 -22.79 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.0 mtt -78.99 -33.43 45.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -75.48 -20.27 58.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.39 -41.51 98.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.591 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.482 ' CB ' ' HZ2' ' B' ' 31' ' ' LYS . 0.5 OUTLIER -92.18 4.83 52.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.676 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.504 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.0 pttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.76 -25.91 68.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.12 -32.44 24.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.469 0.176 . . . . 0.0 111.297 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.72 -43.34 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' MET . 34.2 pt -62.21 -35.79 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.076 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.52 -19.71 0.3 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 9' ' ' ILE . 59.4 mt -73.37 -36.36 66.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.095 0.474 . . . . 0.0 110.431 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -59.71 -63.26 1.37 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.538 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' N ' ' SD ' ' A' ' 12' ' ' MET . 33.8 m -62.17 -20.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.83 -61.27 6.32 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.02 -38.55 86.16 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.352 -0.451 . . . . 0.0 112.132 -178.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.8 t -46.4 -19.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 15' ' ' GLY . 76.4 t -60.97 -19.2 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.751 0.786 . . . . 0.0 109.692 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 tp -62.3 -34.0 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.54 -59.82 4.18 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.91 -37.61 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.49 -49.2 85.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 22' ' ' ILE . 82.2 mt -56.47 -45.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.366 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.7 -41.94 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 110.838 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.7 mt -53.83 -48.76 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.308 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -65.72 -36.59 84.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.698 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.09 -39.17 88.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.254 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.73 -22.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.715 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -73.96 -36.69 64.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.081 0.467 . . . . 0.0 109.95 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 3.9 mm? -76.82 -18.99 58.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.71 -41.69 95.83 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.411 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -92.5 4.67 53.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.1 -0.953 . . . . 0.0 110.338 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.84 -25.9 68.37 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.15 -32.42 24.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.231 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.76 -43.4 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' B' ' 12' ' ' MET . 33.7 pt -62.11 -35.92 71.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.48 -19.69 0.29 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' B' ' 9' ' ' ILE . 59.2 mt -73.42 -36.32 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.043 0.449 . . . . 0.0 110.389 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.4 OUTLIER -59.75 -63.22 1.38 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.504 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.438 ' N ' ' SD ' ' B' ' 12' ' ' MET . 33.7 m -62.17 -20.77 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.73 -61.4 6.23 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.01 -38.53 86.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.057 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -46.39 -19.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.806 0.336 . . . . 0.0 111.052 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.91 -19.18 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 109.675 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 tp -62.34 -33.93 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.941 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -59.76 4.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.99 -37.55 69.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.48 -49.23 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.7 mt -56.43 -45.85 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.444 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.83 -41.77 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.584 0.23 . . . . 0.0 110.846 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mt -54.02 -48.65 63.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.27 -178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -65.78 -36.59 83.97 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.654 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.11 -39.09 88.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.86 -22.8 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.673 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -74.06 -36.78 64.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.862 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' B' ' 29' ' ' LEU . 3.8 mm? -76.72 -18.92 58.22 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.81 -41.71 95.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.366 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -92.49 4.65 53.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.313 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.9 96.88 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.79 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.501 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.84 -55.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.671 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 12' ' ' MET . 37.2 mm -63.37 -48.9 85.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.872 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.43 -53.87 4.11 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.29 -21.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.618 0.246 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 22.3 ttt -41.82 -57.12 2.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.362 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' VAL . 10.8 m -55.98 -41.61 68.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.702 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' VAL . . . -30.54 -51.45 0.21 Allowed Glycine 0 CA--C 1.527 0.805 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.496 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.12 -39.33 80.18 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.028 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 34.0 t -47.26 -17.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 122.6 -0.353 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.431 ' N ' ' C ' ' A' ' 15' ' ' GLY . 94.9 t -69.18 -22.42 25.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.361 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.02 -19.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.129 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -55.08 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -51.41 -39.62 57.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.082 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.72 -50.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 109.714 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.72 -45.77 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.68 -42.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.76 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.81 -53.18 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.978 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.87 -38.87 89.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.29 -39.79 88.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.5 t -62.24 -25.19 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.704 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.58 -39.81 57.54 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.857 0.36 . . . . 0.0 111.248 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 9.8 mp -81.84 -18.6 43.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.684 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.763 ' HZ1' ' HZ1' ' B' ' 30' ' ' LYS . 13.0 mtpp -76.31 -23.07 54.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.003 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.5 2.1 44.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.919 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.388 179.722 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.46 -38.43 96.34 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.16 -55.01 39.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.84 -55.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.622 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' B' ' 12' ' ' MET . 37.7 mm -63.31 -48.82 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.907 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.35 -53.85 4.05 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -46.26 -21.93 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.713 0.292 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' B' ' 9' ' ' ILE . 21.6 ttt -41.83 -57.11 2.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.416 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' VAL . 10.8 m -56.11 -41.42 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.813 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' B' ' 13' ' ' VAL . . . -30.56 -51.18 0.21 Allowed Glycine 0 CA--C 1.527 0.838 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.437 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.3 -39.58 82.73 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.137 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 13' ' ' VAL . 36.3 t -47.02 -17.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.562 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' B' ' 15' ' ' GLY . 94.7 t -69.21 -22.51 25.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-O 121.315 0.579 . . . . 0.0 110.345 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.08 -20.03 5.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.012 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -55.26 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.238 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -51.21 -39.45 56.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.66 -50.24 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 109.692 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.5 mt -53.78 -45.71 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.7 -42.64 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.816 0.341 . . . . 0.0 110.75 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.96 -53.1 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.04 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.85 -38.93 90.04 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.24 -39.82 88.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.26 -24.96 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.65 -39.65 57.34 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' B' ' 29' ' ' LEU . 9.8 mp -82.11 -18.27 43.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.68 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.763 ' HZ1' ' HZ1' ' A' ' 30' ' ' LYS . 13.0 mtpp -76.66 -22.64 53.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.92 2.2 43.47 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.943 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.466 179.743 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.47 93.31 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.46 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.682 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.96 -42.54 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.96 -43.13 98.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.69 2.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -76.74 -30.18 56.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.264 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.37 -63.65 1.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.04 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.51 -19.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.2 17.6 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.37 -36.38 76.22 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.725 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.5 t -46.91 -17.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 122.542 -0.387 . . . . 0.0 111.02 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 15' ' ' GLY . 8.6 p -67.87 -24.43 30.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-O 121.22 0.533 . . . . 0.0 110.641 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.75 -22.61 6.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.84 -55.98 21.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.141 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -49.78 -39.91 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.92 -50.36 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.9 mt -55.31 -50.06 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.86 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.42 -44.19 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.489 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.9 mt -57.63 -51.34 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.768 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -71.06 -36.72 72.41 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.772 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.7 mt -51.37 -49.11 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.821 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -47.7 -56.21 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.569 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.33 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.61 -23.37 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.524 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' LEU . 56.7 tttt -62.33 -40.54 96.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.6 15.14 26.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.472 179.166 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.05 -36.33 93.12 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.23 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.11 -42.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.499 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.87 -43.09 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.731 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.64 -18.67 2.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -76.9 -30.02 56.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.855 0.36 . . . . 0.0 110.256 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.32 -63.62 1.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.59 -19.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.206 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.37 -57.28 17.41 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -57.47 -36.38 76.94 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.3 t -46.85 -17.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 122.582 -0.363 . . . . 0.0 110.997 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.414 ' N ' ' C ' ' B' ' 15' ' ' GLY . 8.8 p -67.96 -24.31 30.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-O 121.284 0.564 . . . . 0.0 110.687 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.88 -22.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.007 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.88 -55.95 21.65 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -49.85 -39.93 40.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.8 -50.35 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.853 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.42 -49.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.52 -44.26 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.475 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.62 -51.28 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.721 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -71.18 -36.61 72.02 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.697 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 30' ' ' LYS . 12.7 mt -51.37 -49.05 62.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.844 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -47.72 -56.27 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.457 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.36 -40.24 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.179 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.57 -23.31 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.513 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' B' ' 26' ' ' LEU . 56.2 tttt -62.24 -40.72 97.08 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.41 14.98 26.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.361 179.187 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.01 98.16 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.49 64.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.426 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -40.92 -53.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.87 -47.01 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.006 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' MET . . . -39.08 -49.92 2.72 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -41.94 -22.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.487 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' GLY . 24.5 ttt -49.96 -62.5 1.53 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.979 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -62.56 -18.74 21.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.342 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.12 -55.43 23.98 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.628 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.21 -33.09 51.67 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.9 t -49.5 -17.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.704 0.288 . . . . 0.0 110.658 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' GLY . 8.1 p -67.47 -26.38 35.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-O 121.09 0.471 . . . . 0.0 110.611 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mm -53.76 -19.08 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.66 -54.71 23.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.193 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 2.0 t -49.83 -41.5 45.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' THR . 81.1 t -63.36 -50.45 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -54.81 -46.67 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.19 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.705 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.87 -51.31 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.07 -37.7 88.41 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.842 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.73 -43.16 98.24 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.45 -22.97 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.962 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.9 mmm -80.31 -44.08 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.49 -8.67 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.613 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -83.91 -20.53 32.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.147 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -107.71 3.35 24.53 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.733 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.23 98.99 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.37 -52.68 64.19 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -41.07 -53.5 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.468 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.83 -47.4 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.009 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -38.8 -49.73 2.53 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.07 -22.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.556 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.466 ' N ' ' O ' ' B' ' 10' ' ' GLY . 24.8 ttt -50.19 -62.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.895 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 m -62.6 -18.76 21.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.315 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.05 -55.24 25.31 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -54.49 -33.28 53.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -49.3 -17.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.675 0.274 . . . . 0.0 110.66 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.411 ' N ' ' C ' ' B' ' 15' ' ' GLY . 8.3 p -67.43 -26.26 35.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-O 121.142 0.496 . . . . 0.0 110.687 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.7 mm -53.82 -19.3 2.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.109 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.47 -54.8 23.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 2.1 t -49.78 -41.54 44.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 20' ' ' THR . 86.2 t -63.21 -50.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.082 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 80.5 mt -54.83 -46.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.08 -41.98 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.743 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.96 -51.23 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.993 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.14 -37.71 88.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.721 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.182 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.42 -23.03 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.881 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 26.5 mmm -80.29 -43.96 20.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.31 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.58 -8.79 59.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.625 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -83.81 -20.73 32.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.147 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -107.48 3.46 25.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.446 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptp . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.09 74.57 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.63 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.664 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -43.61 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.432 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.62 -25.95 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.47 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.74 -22.29 25.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.28 -29.93 57.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -67.06 -63.26 1.1 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.94 -21.23 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.62 -59.68 8.92 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 17' ' ' VAL . . . -51.65 -40.0 47.22 Favored Glycine 0 C--O 1.224 -0.496 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 t -46.39 -16.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 122.47 -0.429 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 15' ' ' GLY . 4.1 p -74.0 -28.03 23.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 18' ' ' ILE . 45.8 mm -52.65 -19.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 O-C-N 123.836 0.71 . . . . 0.0 110.103 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.95 -58.25 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 3.9 t -46.99 -40.35 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.433 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.444 ' N ' ' CG2' ' A' ' 20' ' ' THR . 94.4 t -67.04 -53.29 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.378 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -45.67 -49.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.57 -46.75 94.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.184 0.516 . . . . 0.0 110.395 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.07 -59.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.621 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 33.2 mt -57.93 -51.16 70.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.899 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.53 -60.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 123.328 0.392 . . . . 0.0 110.457 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.5 mtm -54.72 -38.41 67.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.596 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.66 -21.77 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.19 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . 39.4 tttm -63.96 -41.19 97.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -104.16 18.15 22.67 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.355 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.516 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.4 tptp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 -23.65 74.09 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.25 -34.48 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.705 0.288 . . . . 0.0 110.72 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.36 -43.81 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 pt -64.61 -26.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.99 -22.17 19.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.5 mt -76.06 -30.55 58.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.5 ttt -66.67 -63.28 1.1 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 m -56.69 -21.34 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.75 -59.58 8.99 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' B' ' 17' ' ' VAL . . . -51.49 -40.09 46.18 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 t -46.5 -16.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.969 0.414 . . . . 0.0 110.714 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' B' ' 15' ' ' GLY . 4.2 p -73.36 -28.05 24.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.27 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.3 mm -52.64 -19.55 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.816 0.697 . . . . 0.0 110.107 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.3 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 3.7 t -46.87 -41.02 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 20' ' ' THR . 95.7 t -66.25 -53.36 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.268 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -45.83 -49.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.938 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.37 -46.52 95.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.119 0.485 . . . . 0.0 110.42 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.14 -59.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -60.41 -41.43 93.88 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' B' ' 30' ' ' LYS . 31.2 mt -58.2 -51.18 70.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.888 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -47.44 -60.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.233 0.333 . . . . 0.0 110.349 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 78.6 mtm -54.98 -38.15 67.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.88 -21.96 43.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' B' ' 26' ' ' LEU . 38.9 tttm -63.71 -41.36 98.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.254 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -103.86 18.08 22.73 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.579 -179.865 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HZ3' ' CB ' ' A' ' 5' ' ' LYS . 10.0 mtpm? . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -34.5 90.11 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.67 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.721 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.4 mt -70.23 -44.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.828 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.48 -43.05 98.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.432 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 12' ' ' MET . . . -37.02 -47.65 1.35 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 14' ' ' GLY . 62.8 mt -44.23 -21.59 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.833 0.349 . . . . 0.0 110.771 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' GLY . 25.4 ttt -42.88 -51.4 5.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.316 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -67.93 -21.5 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.603 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.96 -51.04 61.08 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.62 -32.53 69.43 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.17 -16.69 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.863 0.363 . . . . 0.0 110.659 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' ALA . 57.5 t -64.72 -53.57 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.14 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.3 mt -41.82 -19.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.77 0.319 . . . . 0.0 110.811 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.64 -55.34 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 6.4 t -58.32 -41.96 85.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.139 0.495 . . . . 0.0 110.485 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 20' ' ' THR . 79.5 t -59.62 -49.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.01 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.08 -33.54 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.921 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -77.31 -48.52 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 24' ' ' ILE . 82.1 mt -51.91 -48.61 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 t -66.62 -45.66 78.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 mt -58.98 -39.25 81.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.075 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -56.33 -49.19 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.064 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LYS . 67.4 mtt -58.69 -32.08 68.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.765 0.317 . . . . 0.0 110.601 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.7 mt -79.7 -14.68 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.713 ' HZ1' ' HZ1' ' B' ' 30' ' ' LYS . 95.4 mttt -86.64 -9.92 54.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.674 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HZ3' ' CB ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -150.62 18.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' MET . 64.8 tttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.487 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.452 ' HZ3' ' CB ' ' B' ' 5' ' ' LYS . 10.0 mtpm? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.75 90.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.26 97.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.625 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.82 -44.13 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.766 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.32 -42.85 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.236 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -37.02 -47.92 1.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' GLY . 61.1 mt -44.09 -21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.702 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 10' ' ' GLY . 25.2 ttt -42.84 -51.24 5.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.11 -21.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.06 0.457 . . . . 0.0 110.585 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.62 -50.97 61.78 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.59 -32.45 69.15 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -66.59 -16.88 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' ALA . 58.5 t -64.35 -53.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.158 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -42.14 -19.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.726 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.94 -55.08 22.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.19 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 6.1 t -58.23 -41.91 85.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.167 0.508 . . . . 0.0 110.397 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' B' ' 20' ' ' THR . 75.9 t -59.89 -49.57 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.08 -32.95 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.907 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.58 -48.76 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.42 HD12 HG22 ' B' ' 24' ' ' ILE . 84.0 mt -51.82 -48.71 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.856 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.9 t -66.29 -45.71 79.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.597 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.4 mt -59.14 -39.27 81.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.179 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.403 ' CG2' ' HZ2' ' A' ' 30' ' ' LYS . 32.6 t -56.24 -49.38 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.979 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -58.55 -31.91 68.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.661 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.92 -14.85 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.713 ' HZ1' ' HZ1' ' A' ' 30' ' ' LYS . 95.3 mttt -86.56 -9.67 55.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.628 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.48 ' HZ3' ' CB ' ' B' ' 31' ' ' LYS . 0.8 OUTLIER -151.02 19.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.525 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.22 -33.42 75.16 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.02 82.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.615 0.245 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 8' ' ' ILE . 97.1 mt -68.54 -43.68 83.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.943 0.401 . . . . 0.0 110.725 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.64 -42.73 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.151 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.19 -52.77 1.65 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' GLY . 59.0 mt -45.08 -23.53 0.16 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.549 0.214 . . . . 0.0 111.238 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.25 -53.5 6.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.54 -21.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.527 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.2 -50.79 63.78 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.08 -33.84 81.19 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.94 -17.08 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.926 0.393 . . . . 0.0 110.716 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' ALA . 98.8 t -63.09 -52.21 61.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.396 -0.522 . . . . 0.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.3 mt -41.17 -20.78 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.115 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.842 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.21 -55.72 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 5.8 t -57.91 -41.83 83.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 20' ' ' THR . 72.2 t -59.99 -48.7 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.745 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.7 -36.99 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.723 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.41 -48.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.0 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -52.48 -48.46 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.355 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -67.55 -44.0 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.498 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -54.26 -55.23 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.951 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.9 mtt -52.82 -30.86 35.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.752 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.8 -17.15 48.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.582 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.712 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 96.5 mttt -86.05 -13.49 47.23 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.771 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.59 15.13 2.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.523 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.57 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.21 -33.44 75.2 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.05 82.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.645 0.26 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.55 -43.59 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.711 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.64 -42.74 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.141 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.28 -52.6 1.7 Allowed Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' B' ' 14' ' ' GLY . 59.7 mt -45.24 -23.44 0.18 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.617 0.246 . . . . 0.0 111.345 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.49 -53.27 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.119 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.83 -21.76 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.227 0.537 . . . . 0.0 110.275 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.14 -50.92 62.44 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -33.78 80.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.14 -17.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' B' ' 19' ' ' ALA . 94.9 t -63.07 -52.23 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.769 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.3 mt -41.12 -20.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.772 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.13 -55.73 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.906 0.384 . . . . 0.0 110.033 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 5.8 t -57.87 -41.85 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.582 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.437 ' N ' ' CG2' ' B' ' 20' ' ' THR . 69.3 t -59.98 -48.81 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.846 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -54.54 -36.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.673 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.5 -48.33 41.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.05 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.401 HG22 HD13 ' B' ' 24' ' ' ILE . 79.2 mt -52.49 -48.35 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.428 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -67.54 -44.03 79.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.47 -41.4 94.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.587 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.2 -55.23 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.053 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -52.72 -30.98 35.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.732 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.72 -17.33 48.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.712 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 96.5 mttt -85.8 -13.64 47.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.27 14.83 2.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.556 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.73 -30.95 73.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.79 90.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 110.666 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.418 HG22 HD13 ' A' ' 8' ' ' ILE . 97.0 mt -66.5 -43.12 91.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.629 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -62.29 -42.84 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.341 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.29 -20.29 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ILE . 54.4 mt -77.87 -34.37 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.812 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.3 ttt -61.17 -63.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.676 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.62 -20.87 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.02 -56.6 19.82 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.75 -39.16 75.73 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -47.24 -18.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.596 -0.355 . . . . 0.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.404 ' N ' ' C ' ' A' ' 15' ' ' GLY . 99.1 t -70.55 -23.69 24.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 CA-C-O 121.261 0.553 . . . . 0.0 110.24 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.82 -21.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -56.84 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.371 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 2.0 t -48.97 -41.11 33.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.784 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' THR . 70.4 t -63.89 -50.64 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.085 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.5 -47.35 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.11 -44.18 99.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.498 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.16 -52.53 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.097 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -67.96 -36.9 80.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.189 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.269 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.0 t -48.94 -60.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.955 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -54.36 -37.86 65.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.412 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.64 -32.67 71.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -64.49 -44.14 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -101.07 4.64 42.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.605 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.43 76.51 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.61 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.7 0.286 . . . . 0.0 110.721 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.38 -43.22 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.644 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.2 mm -62.35 -42.8 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.354 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.21 -20.27 0.28 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' B' ' 9' ' ' ILE . 56.0 mt -77.72 -34.88 52.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.906 0.384 . . . . 0.0 110.798 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.4 ttt -60.94 -63.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.2 m -58.46 -20.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.97 -56.44 20.84 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.69 -39.35 75.75 Favored Glycine 0 N--CA 1.464 0.555 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.7 t -47.24 -18.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 122.626 -0.338 . . . . 0.0 110.734 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' B' ' 15' ' ' GLY . 98.0 t -70.49 -23.73 24.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 121.307 0.575 . . . . 0.0 110.363 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.404 HG23 HD13 ' B' ' 18' ' ' ILE . 96.5 mt -55.83 -21.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.207 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.36 -56.97 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.475 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 2.0 t -49.04 -41.06 33.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.424 ' N ' ' CG2' ' B' ' 20' ' ' THR . 71.0 t -63.84 -50.4 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.147 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.73 -47.49 62.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.01 -44.23 99.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.457 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.2 -52.31 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -68.03 -36.78 80.5 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.1 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.36 -48.38 82.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.293 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.98 -59.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -54.36 -37.8 65.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.77 -32.61 71.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.761 0.315 . . . . 0.0 111.199 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -64.54 -44.18 91.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.899 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -100.95 4.52 42.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.514 179.778 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.55 -32.71 85.09 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.58 -27.52 19.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.51 -43.87 83.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 120.945 0.403 . . . . 0.0 110.905 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.412 ' O ' ' CB ' ' A' ' 12' ' ' MET . 2.2 pp -58.59 -41.15 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.273 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' MET . . . -36.99 -57.78 1.27 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 mt -40.92 -25.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.706 0.289 . . . . 0.0 110.589 -178.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLY . 28.5 ttt -52.65 -64.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 m -63.14 -19.01 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 179.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -56.22 19.4 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.595 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.32 61.94 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.17 -18.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 110.788 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.2 -20.21 26.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 CA-C-O 121.477 0.656 . . . . 0.0 109.771 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.33 -22.4 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.794 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.57 -58.15 7.15 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -38.35 62.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.59 -50.04 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.885 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.25 -43.12 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.95 -41.03 86.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.845 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.4 -49.71 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.767 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -64.67 -37.6 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.466 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.09 -38.95 88.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.109 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.34 -22.48 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.645 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.7 mtt -76.4 -35.67 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 4.0 mm? -76.1 -16.95 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.45 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.49 -41.72 98.56 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.582 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -95.17 6.17 49.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.981 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.714 179.975 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.36 -32.59 84.67 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.41 -27.67 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.633 0.254 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.57 -43.96 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' B' ' 10' ' ' GLY . 2.2 pp -58.43 -40.95 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.181 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -37.17 -57.8 1.33 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 mt -40.95 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.587 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' MET . . . . . 0.448 ' N ' ' O ' ' B' ' 10' ' ' GLY . 28.4 ttt -53.4 -64.17 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 15.1 m -63.09 -19.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.579 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.92 -56.11 20.55 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.581 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.15 -34.79 62.98 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -48.72 -18.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.769 0.319 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.23 -20.16 26.79 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 121.532 0.682 . . . . 0.0 109.801 179.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.67 -22.3 29.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.745 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.09 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.903 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.44 62.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.615 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.42 -49.92 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.888 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.56 -43.16 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.82 -41.1 87.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.742 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mm -52.44 -49.66 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -64.79 -37.39 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.413 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.22 -39.0 88.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.37 -22.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.657 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.27 -35.6 58.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' B' ' 29' ' ' LEU . 4.0 mm? -76.28 -17.07 59.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.32 -41.49 98.91 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.579 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 32' ' ' LYS . 22.8 pttp -95.4 6.21 49.59 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 31' ' ' LYS . 6.7 ptmm? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.957 -1.02 . . . . 0.0 111.731 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 108.333 -0.988 . . . . 999.99000000000001 108.333 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.47 -32.39 81.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.415 -1.074 . . . . 128.44999999999999 110.415 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.13 81.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.703 -0.249 . . . . 208.13 111.459 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.08 -43.89 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.338 . . . . 318.06999999999999 110.398 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.484 ' C ' ' H ' ' A' ' 11' ' ' LEU . 1.4 mt -63.09 -39.29 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.186 -0.461 . . . . 853.96000000000004 110.936 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -17.13 0.13 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.062 -0.815 . . . . 97.269999999999996 111.062 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 9' ' ' ILE . 57.8 mt -77.95 -34.18 51.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 232.13999999999999 110.689 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' ILE . 22.8 ttt -60.19 -63.66 1.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.003 -0.544 . . . . 164.36000000000001 110.718 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.49 -20.58 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.22 -0.446 . . . . 126.38 110.299 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -55.78 25.51 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.185 -0.766 . . . . 25.850000000000001 111.185 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.56 -36.82 79.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.627 -0.589 . . . . 11.98 111.627 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.05 -18.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.761 -0.258 . . . . 105.25 110.747 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.8 t -67.41 -22.28 28.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.392 0.615 . . . . 275.13999999999999 109.825 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -24.05 29.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.389 -0.823 . . . . 332.63 110.08 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.66 -58.71 7.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.428 -0.351 . . . . 88.540000000000006 110.993 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -52.56 -38.29 59.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 140.38 111.069 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.39 -50.7 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.645 -0.502 . . . . 153.34 109.645 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -56.1 -44.59 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.077 -0.712 . . . . 92.510000000000005 109.077 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.2 t -65.93 -43.63 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.388 . . . . 108.48999999999999 111.165 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.7 mt -52.13 -49.22 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 121.018 -0.273 . . . . 280.69999999999999 111.52 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.74 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.259 -0.576 . . . . 122.14 110.14 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -42.17 98.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.793 -0.639 . . . . 185.81 109.663 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.0 t -55.62 -23.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.654 0.264 . . . . 186.5 110.826 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtt -80.05 -34.86 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.981 0.42 . . . . 275.27999999999997 110.673 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.3 mt -78.49 -19.8 52.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 591.28999999999996 110.9 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -61.89 -41.49 97.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.759 -0.377 . . . . 762.67999999999995 110.983 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -95.75 11.58 33.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.851 -0.34 . . . . 764.60000000000002 110.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.053 -0.975 . . . . 999.99000000000001 110.705 179.168 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.334 -0.987 . . . . 999.99000000000001 108.334 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.42 81.62 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.38 -1.088 . . . . 128.27000000000001 110.38 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.14 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.683 -0.259 . . . . 205.63 111.487 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.05 -43.88 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.79 0.329 . . . . 320.94999999999999 110.376 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' B' ' 12' ' ' MET . 1.4 mt -63.06 -39.38 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.21 -0.45 . . . . 855.76999999999998 110.923 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.41 -17.15 0.12 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.004 -0.838 . . . . 97.5 111.004 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' B' ' 9' ' ' ILE . 57.4 mt -77.99 -34.17 51.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 233.56999999999999 110.716 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.485 ' N ' ' O ' ' B' ' 9' ' ' ILE . 22.9 ttt -60.11 -63.76 1.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.016 -0.538 . . . . 166.72999999999999 110.72 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.41 -20.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 126.59 110.357 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.4 -55.79 25.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.181 -0.768 . . . . 25.75 111.181 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.92 79.73 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.617 -0.593 . . . . 12.24 111.617 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -49.08 -18.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.619 0.247 . . . . 105.22 110.747 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.54 -22.15 28.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 CA-C-O 121.356 0.598 . . . . 275.72000000000003 109.804 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.21 -24.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.386 -0.824 . . . . 329.24000000000001 110.032 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.63 -58.78 7.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.817 0.341 . . . . 87.629999999999995 111.005 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 141.19999999999999 111.022 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.38 -50.68 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.667 -0.494 . . . . 152.53 109.667 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -56.05 -44.61 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.082 -0.71 . . . . 92.560000000000002 109.082 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.0 -43.63 92.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.304 -0.407 . . . . 108.48999999999999 111.144 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.16 -49.24 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 121.055 -0.258 . . . . 278.56999999999999 111.487 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.75 -37.75 88.66 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.207 -0.597 . . . . 121.34 110.129 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.81 -42.16 98.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.845 -0.616 . . . . 183.36000000000001 109.689 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.62 -23.26 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.673 0.273 . . . . 186.59999999999999 110.787 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 36.4 mtt -80.12 -34.68 37.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.95 0.405 . . . . 273.55000000000001 110.679 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.61 -19.66 52.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 589.84000000000003 110.928 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -61.93 -41.55 98.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.815 -0.354 . . . . 756.97000000000003 110.945 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -95.73 11.6 32.91 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.865 -0.334 . . . . 761.57000000000005 110.468 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.033 -0.984 . . . . 999.99000000000001 110.677 179.224 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.27 95.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.54 96.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.688 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.17 -42.86 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' MET . 98.0 mt -61.81 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.69 0.09 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.5 mt -77.37 -36.18 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.809 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.3 ttt -59.53 -63.9 1.14 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.64 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.29 -20.32 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.01 15.35 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.57 -38.02 69.62 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 t -47.11 -19.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.69 0.281 . . . . 0.0 110.606 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' GLY . 82.0 t -66.94 -21.25 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-O 121.365 0.603 . . . . 0.0 109.818 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -25.79 38.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.33 -59.23 5.3 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.955 0.407 . . . . 0.0 111.839 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 -37.37 59.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.257 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.5 t -61.87 -49.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.77 -44.67 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.37 -42.55 93.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.921 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.9 mt -52.43 -49.64 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.267 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.46 -35.51 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.071 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.56 -23.46 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.699 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.1 mtt -77.31 -34.6 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 110.618 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.49 -17.54 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.622 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 67.9 mttm -63.85 -42.22 97.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.596 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -96.18 5.1 51.81 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.944 0.402 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.671 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.45 96.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.53 96.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.726 0.298 . . . . 0.0 110.774 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.06 -42.84 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.618 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 12' ' ' MET . 98.2 mt -61.82 -43.26 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.531 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.76 0.09 OUTLIER Glycine 0 CA--C 1.527 0.822 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' B' ' 9' ' ' ILE . 52.4 mt -77.26 -36.3 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.793 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.497 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.4 ttt -59.49 -63.81 1.17 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.702 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.42 -20.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.75 -57.05 15.61 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.7 -37.86 70.14 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 t -47.19 -19.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.657 0.265 . . . . 0.0 110.577 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.87 -21.28 28.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 CA-C-O 121.423 0.63 . . . . 0.0 109.825 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.25 -25.74 38.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.29 -59.19 5.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.984 0.421 . . . . 0.0 111.904 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -37.25 61.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.139 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.88 -49.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.81 -44.51 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.53 -42.6 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.872 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -52.52 -49.6 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.173 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.39 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.286 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.81 -39.76 95.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.09 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.57 -23.5 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.3 mtt -77.22 -34.62 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.949 0.404 . . . . 0.0 110.611 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.45 -17.57 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.622 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 67.9 mttm -63.84 -42.29 97.64 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.693 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -96.11 5.18 51.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.648 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 -29.05 70.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.52 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.7 -43.56 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -61.84 -42.96 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.43 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.72 -19.47 0.11 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' ILE . 47.2 mt -80.47 -33.73 36.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.6 ttt -61.45 -63.14 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.55 -19.22 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.478 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.15 -58.65 9.19 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -52.13 -38.69 48.7 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -45.75 -18.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.835 0.35 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' N ' ' C ' ' A' ' 15' ' ' GLY . 8.9 p -67.64 -25.76 33.72 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.2 mt -52.69 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.64 -55.62 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 2.0 t -47.68 -40.8 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' THR . 77.3 t -63.26 -51.16 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 25' ' ' THR . 73.4 mt -54.9 -47.16 76.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.68 -42.29 94.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.015 0.436 . . . . 0.0 110.212 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.54 -53.66 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.141 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 22' ' ' ILE . 1.8 t -60.63 -36.68 79.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.435 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.68 -39.39 93.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.4 -23.39 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.43 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.82 -36.06 62.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.83 -20.93 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.701 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 65.8 mttm -63.32 -40.67 97.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -92.19 3.53 55.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.571 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -29.92 72.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.15 93.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.413 HD11 HG22 ' B' ' 8' ' ' ILE . 96.8 mt -67.44 -43.25 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.825 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.3 mm -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.319 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.22 -19.5 0.13 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 9' ' ' ILE . 47.2 mt -80.3 -33.44 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.5 ttt -61.57 -63.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.63 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.43 -19.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.572 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.97 -58.71 9.2 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' B' ' 17' ' ' VAL . . . -52.02 -38.5 47.39 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -45.88 -18.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.81 0.338 . . . . 0.0 110.636 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.432 ' H ' ' C ' ' B' ' 15' ' ' GLY . 9.1 p -67.78 -25.06 31.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 93.2 mt -53.4 -20.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.65 12.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.208 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 1.9 t -47.58 -41.14 20.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.3 t -63.23 -50.85 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.744 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' B' ' 25' ' ' THR . 75.5 mt -54.86 -47.36 75.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.72 -42.65 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 0.0 110.249 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -50.83 -53.99 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.147 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 22' ' ' ILE . 2.0 t -60.8 -36.03 77.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.21 0.319 . . . . 0.0 110.474 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.04 -39.66 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.1 -22.96 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.39 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -75.51 -36.5 60.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.45 -20.55 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 65.2 mttm -63.67 -41.39 98.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.762 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -91.32 3.53 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.608 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.85 -22.35 69.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.6 -29.45 16.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.72 0.295 . . . . 0.0 110.93 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.98 -43.17 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.78 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' MET . 2.3 pp -61.35 -39.18 81.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.792 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.5 -19.42 0.27 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 9' ' ' ILE . 57.9 mt -77.41 -35.35 54.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.457 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.8 ttt -59.69 -63.31 1.35 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.487 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.31 -19.23 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.14 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.9 -58.15 13.14 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.81 -38.2 72.57 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -46.88 -19.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 122.614 -0.344 . . . . 0.0 110.906 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 15' ' ' GLY . 92.6 t -68.53 -23.63 28.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-O 121.266 0.555 . . . . 0.0 110.582 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 18' ' ' ILE . 97.0 mt -54.6 -21.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.152 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.79 -54.18 30.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.184 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -51.31 -39.75 57.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.805 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.88 -49.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.87 -48.49 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.407 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.77 -42.33 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.824 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.18 -49.77 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.473 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.78 -36.36 84.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.521 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.61 -40.15 96.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.437 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.51 -23.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.789 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.9 mtt -76.32 -34.24 59.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 109.972 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -74.89 -19.8 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.498 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.23 -42.15 99.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.573 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -94.24 5.19 52.54 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.98 -22.26 69.17 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.76 -29.28 16.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.987 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.12 -43.19 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 12' ' ' MET . 2.3 pp -61.26 -39.29 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.816 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -19.29 0.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.1 mt -77.52 -35.28 53.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 110.419 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.496 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.8 ttt -59.67 -63.3 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.52 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.36 -19.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.22 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.11 13.26 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.83 -38.19 72.68 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -46.83 -19.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.547 -0.384 . . . . 0.0 110.937 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.62 -23.61 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 110.52 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.63 -21.03 6.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.155 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.68 -54.3 29.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 111.173 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -51.21 -39.76 57.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.928 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.85 -49.82 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.02 -48.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.396 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.71 -42.35 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.823 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.6 mt -53.14 -49.8 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.437 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.82 -36.33 83.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.476 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.51 -40.29 96.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.473 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.47 -23.93 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.758 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.6 mtt -76.38 -34.22 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.996 0.427 . . . . 0.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.94 -19.79 59.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.542 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.09 -42.1 99.55 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -94.35 5.13 52.73 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.896 0.379 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.71 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.75 -24.24 71.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 -31.11 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.532 0.206 . . . . 0.0 110.952 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.0 -43.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.869 0.366 . . . . 0.0 110.665 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' MET . 30.1 pt -61.16 -33.1 54.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.54 -17.73 0.28 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 9' ' ' ILE . 51.7 mt -79.05 -34.62 43.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.718 0.294 . . . . 0.0 110.867 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ILE . 27.7 ttt -60.85 -63.89 1.14 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.667 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.63 -20.36 21.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.0 22.52 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.72 -37.39 76.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -47.43 -19.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.59 0.233 . . . . 0.0 110.588 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' GLY . 93.0 t -67.04 -21.06 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.602 0.715 . . . . 0.0 109.734 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 18' ' ' ILE . 96.5 mt -61.68 -24.76 34.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.67 -58.99 5.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 111.897 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -37.1 61.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.649 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.84 -49.15 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -55.78 -44.55 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.3 t -66.16 -42.2 90.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.829 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.03 -50.81 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.126 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.82 -37.13 86.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 110.692 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.95 -39.18 91.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.03 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.47 -23.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.67 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmm -75.41 -36.66 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.32 -18.49 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.38 -42.69 96.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.789 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -95.78 3.36 53.86 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.502 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.88 -23.94 71.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.85 -31.15 23.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.504 0.192 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.97 -43.41 92.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 110.672 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' MET . 29.9 pt -61.2 -32.96 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.77 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.78 -17.58 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.443 ' N ' ' C ' ' B' ' 9' ' ' ILE . 51.3 mt -79.06 -34.67 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.444 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.8 ttt -60.75 -63.92 1.13 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.676 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.63 -20.41 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.06 22.16 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.71 -37.19 75.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 18.1 t -47.5 -19.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.578 0.228 . . . . 0.0 110.625 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 15' ' ' GLY . 93.3 t -67.08 -20.99 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 109.814 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.75 -24.66 34.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.88 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -59.01 5.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 111.862 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -37.04 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.696 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.9 -49.24 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.68 -44.54 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.3 -42.14 90.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.93 -50.92 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.123 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -63.81 -37.17 86.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.712 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.88 -39.26 91.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.975 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.42 -23.61 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 13.0 mmm -75.45 -36.81 60.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.17 -18.55 60.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.38 -42.66 96.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.772 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -95.66 3.23 54.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.534 -179.856 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.62 93.64 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.29 90.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.632 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.9 -43.06 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.599 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' MET . 96.9 mt -62.58 -42.8 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.392 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.74 -19.66 0.34 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 9' ' ' ILE . 52.4 mt -76.68 -32.37 57.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -64.31 -63.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -55.73 -20.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.94 -56.73 16.94 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.12 -40.72 67.56 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -46.99 -19.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 122.574 -0.368 . . . . 0.0 110.661 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.417 ' N ' ' C ' ' A' ' 15' ' ' GLY . 93.0 t -70.99 -25.73 26.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 CA-C-O 121.037 0.446 . . . . 0.0 110.357 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.0 -21.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.192 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -57.04 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 111.264 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 1.8 t -48.34 -40.59 25.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.794 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' A' ' 20' ' ' THR . 75.4 t -64.38 -51.8 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.343 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -52.49 -47.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.64 -44.94 98.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.458 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.53 -54.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.539 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.87 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 mt -52.78 -48.08 67.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.357 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 30' ' ' LYS . 54.5 t -49.58 -58.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.214 -0.594 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -43.7 -40.57 4.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.013 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.2 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 111.058 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.699 ' HZ3' ' HZ3' ' B' ' 30' ' ' LYS . 98.2 mttt -82.16 -8.64 59.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -124.77 0.03 8.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.435 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.97 92.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.2 90.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.93 -43.05 89.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.597 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 12' ' ' MET . 96.9 mt -62.67 -42.96 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.508 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.49 -19.45 0.27 Allowed Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' B' ' 9' ' ' ILE . 51.8 mt -76.53 -33.19 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.984 0.421 . . . . 0.0 110.733 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.481 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -63.59 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.864 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -55.93 -20.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.9 -56.69 17.24 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.12 -40.68 67.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 t -47.12 -19.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.645 -0.327 . . . . 0.0 110.583 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.19 -25.5 25.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 121.069 0.462 . . . . 0.0 110.395 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 41.8 mm -56.34 -21.12 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.22 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -57.1 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.351 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 1.9 t -48.37 -40.55 26.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.417 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.0 t -64.35 -51.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.284 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.7 mt -52.47 -47.4 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.75 -44.91 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.407 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.61 -53.9 22.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.503 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -66.03 -41.23 91.21 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.918 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 mt -52.53 -48.08 66.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' B' ' 30' ' ' LYS . 54.9 t -49.66 -58.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.921 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.8 mtt -43.56 -40.62 4.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.986 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' B' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.26 60.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.712 0.291 . . . . 0.0 111.003 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.699 ' HZ3' ' HZ3' ' A' ' 30' ' ' LYS . 98.2 mttt -82.02 -8.33 59.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -125.22 0.3 7.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.753 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.395 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.09 -22.92 72.79 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.07 -31.77 25.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.52 -43.61 90.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 12' ' ' MET . 27.9 pt -62.61 -34.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.81 -16.9 0.23 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' A' ' 9' ' ' ILE . 56.6 mt -79.68 -32.37 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.765 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.06 -63.61 1.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 -179.428 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.549 ' N ' ' SD ' ' A' ' 12' ' ' MET . 27.7 m -59.32 -21.01 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.648 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.47 -55.67 21.82 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.99 -39.46 68.98 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 t -46.45 -20.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.594 0.235 . . . . 0.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' A' ' 15' ' ' GLY . 97.3 t -68.09 -21.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 0.0 110.165 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -24.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.921 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -59.55 4.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.708 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.16 -35.97 62.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.43 -55.56 20.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-O 121.22 0.534 . . . . 0.0 110.041 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 25' ' ' THR . 67.4 mt -46.3 -39.83 3.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.1 -42.19 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.391 0.615 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -40.97 -51.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.659 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 22' ' ' ILE . 3.1 t -59.18 -37.72 78.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.776 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.46 -26.88 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.589 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.9 mtt -73.62 -35.0 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -76.11 -21.31 56.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.623 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 68.4 mttm -67.33 -42.6 83.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.955 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.02 0.31 57.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.759 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.449 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.64 -23.23 73.82 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.9 -31.46 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.755 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.55 -43.59 90.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.446 ' C ' ' H ' ' B' ' 11' ' ' LEU . 27.5 pt -63.01 -34.36 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.616 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.98 -16.87 0.24 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' B' ' 9' ' ' ILE . 57.3 mt -79.76 -32.83 41.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 110.821 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -64.58 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.829 -179.433 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.545 ' N ' ' SD ' ' B' ' 12' ' ' MET . 27.9 m -59.48 -20.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.722 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.57 -55.59 22.07 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.8 -39.67 68.73 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 13.2 t -46.25 -20.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.597 0.237 . . . . 0.0 110.672 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.66 -21.22 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.786 0.803 . . . . 0.0 110.127 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.408 HG22 HD11 ' B' ' 18' ' ' ILE . 96.1 mt -62.38 -24.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.878 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.22 -59.52 4.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.685 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.17 -36.13 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.232 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.18 -55.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.22 0.534 . . . . 0.0 110.047 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.446 ' O ' HG22 ' B' ' 25' ' ' THR . 68.3 mt -46.74 -39.65 4.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.26 -42.2 94.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.298 0.571 . . . . 0.0 110.747 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.8 mt -40.9 -51.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.618 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.446 HG22 ' O ' ' B' ' 22' ' ' ILE . 3.2 t -59.25 -38.14 79.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.76 -39.6 94.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.551 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.9 -26.73 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.571 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.7 mtt -73.65 -34.9 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.24 -21.4 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.716 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.623 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 68.0 mttm -67.32 -42.33 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.29 0.31 57.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.509 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -29.42 24.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.653 0.263 . . . . 0.0 110.763 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.415 HD11 HG21 ' A' ' 8' ' ' ILE . 92.4 mt -64.73 -43.6 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.666 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -63.66 -27.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.668 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.2 -20.65 7.06 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.91 -32.86 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.876 0.37 . . . . 0.0 110.673 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.09 -63.53 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -58.22 -20.78 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.32 -56.38 20.38 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.55 -38.89 72.64 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -46.86 -18.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.8 0.333 . . . . 0.0 110.72 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 15' ' ' GLY . 95.4 t -69.93 -23.79 25.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 121.006 0.432 . . . . 0.0 110.213 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 18' ' ' ILE . 96.9 mt -54.97 -21.78 8.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -56.83 12.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.324 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 1.7 t -48.88 -41.26 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' A' ' 20' ' ' THR . 95.2 t -63.35 -50.57 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.139 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.6 -47.51 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.16 -43.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.994 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.91 -52.79 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.232 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -62.91 -37.46 87.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.752 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 30' ' ' LYS . 11.5 mt -61.47 -43.18 99.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 78.2 t -54.65 -69.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.231 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.83 -36.1 11.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.804 0.335 . . . . 0.0 110.699 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt -78.63 -20.97 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.807 0.337 . . . . 0.0 110.462 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' LEU . 28.9 ttmt -62.5 -44.3 96.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.191 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -100.98 12.92 36.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.569 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.91 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.07 -29.46 24.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.672 0.273 . . . . 0.0 110.786 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.637 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -63.72 -27.25 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.673 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.4 -20.49 7.3 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.6 mt -77.08 -32.66 56.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.0 110.639 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' B' ' 12' ' ' MET . 0.4 OUTLIER -64.25 -63.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.312 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.41 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.8 m -58.21 -20.81 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.37 -56.33 20.55 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.49 -38.99 72.29 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -46.88 -18.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.655 -0.321 . . . . 0.0 110.654 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.433 ' N ' ' C ' ' B' ' 15' ' ' GLY . 95.4 t -70.01 -23.74 25.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.016 0.436 . . . . 0.0 110.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.91 -21.85 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.208 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.92 11.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 1.7 t -48.73 -41.3 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.741 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' B' ' 20' ' ' THR . 92.5 t -63.34 -50.49 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.135 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.67 -47.44 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.28 -43.53 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.923 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.96 -52.64 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.28 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.06 -37.38 86.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.705 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' B' ' 30' ' ' LYS . 11.4 mt -61.59 -43.25 99.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.243 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LYS . 76.9 t -54.5 -69.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.239 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.85 -35.94 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.645 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.75 -21.13 48.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.847 0.356 . . . . 0.0 110.45 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' B' ' 26' ' ' LEU . 28.9 ttmt -62.4 -44.12 97.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -101.28 12.95 36.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.462 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.55 -22.43 69.69 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.52 -28.63 28.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.47 -44.09 87.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.937 0.399 . . . . 0.0 110.684 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 pt -59.71 -36.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.44 -22.91 4.05 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -77.84 -34.36 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.3 ttt -62.91 -63.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.605 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.08 -21.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.393 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.24 -56.21 21.57 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -55.03 -39.46 69.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 t -45.92 -16.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.712 0.291 . . . . 0.0 110.855 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' GLY . 88.1 t -70.65 -23.23 24.0 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.24 -21.72 6.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.151 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.0 -57.44 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.265 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 1.9 t -47.93 -40.96 23.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' N ' ' CG2' ' A' ' 20' ' ' THR . 96.2 t -64.96 -51.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -51.39 -47.99 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.86 -45.51 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.424 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.93 -55.28 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.822 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.25 -39.2 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.969 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.08 -47.91 83.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.223 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.4 t -50.41 -64.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.989 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.7 mtt -45.3 -37.76 5.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.624 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.42 -32.28 66.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' VAL . 47.9 mttp -66.45 -42.85 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.908 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.48 0.11 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.5 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.31 -22.68 69.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.14 -28.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.694 0.283 . . . . 0.0 110.772 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.46 -44.02 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.644 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 12' ' ' MET . 16.7 pt -59.73 -36.92 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.3 -22.77 3.73 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -78.15 -33.68 50.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.559 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 9' ' ' ILE . 11.6 ttt -63.46 -63.54 1.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -59.14 -21.49 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.05 22.7 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' B' ' 17' ' ' VAL . . . -55.03 -39.48 69.46 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.7 t -45.95 -16.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' B' ' 15' ' ' GLY . 83.9 t -70.58 -23.17 24.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -54.34 -21.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.255 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -57.33 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.358 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 1.9 t -48.1 -41.05 25.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.426 ' N ' ' CG2' ' B' ' 20' ' ' THR . 97.0 t -64.69 -51.47 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.146 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.43 -47.86 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.07 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.503 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.8 -55.31 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.1 t -64.3 -39.18 93.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.948 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.11 -47.91 83.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.312 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 30' ' ' LYS . 63.9 t -50.5 -64.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.958 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.6 mtt -45.22 -37.82 4.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.36 -32.29 66.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 0.0 110.967 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' B' ' 27' ' ' VAL . 47.9 mttp -66.35 -42.63 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.963 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.73 0.23 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.635 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.37 -33.29 80.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.38 83.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.699 0.285 . . . . 0.0 110.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.5 -42.91 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 110.692 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 35.0 mm -61.78 -43.33 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.39 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.66 -20.02 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.4 mt -76.88 -36.04 57.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.906 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' ILE . 26.7 ttt -59.72 -64.0 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.739 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.92 -20.76 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.45 -61.43 5.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.76 -38.81 74.55 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.0 t -45.56 -19.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.347 . . . . 0.0 110.607 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 15' ' ' GLY . 84.2 t -62.14 -18.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.601 0.715 . . . . 0.0 110.18 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.17 -31.28 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.2 -60.77 3.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.905 0.383 . . . . 0.0 111.34 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -52.61 -38.8 60.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.303 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.8 -51.06 77.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.31 -44.28 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.32 -42.45 93.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.021 0.439 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.12 -50.72 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.418 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.32 -35.84 82.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.68 -39.35 91.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.38 -22.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmm -76.43 -37.17 57.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.1 -16.9 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.474 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.75 -41.89 97.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.88 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -91.74 6.45 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.609 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.697 -179.654 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.45 82.72 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.59 82.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.69 0.281 . . . . 0.0 110.609 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.44 -42.85 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 11' ' ' LEU . 35.2 mm -61.67 -43.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.78 -19.85 0.07 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.8 mt -77.02 -36.16 56.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.964 0.411 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.1 ttt -59.36 -63.89 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.625 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.39 -20.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.533 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.51 -61.42 5.98 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -55.93 -38.75 76.07 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 83.4 t -45.59 -19.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.977 0.417 . . . . 0.0 110.644 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 15' ' ' GLY . 88.3 t -62.14 -18.69 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.562 0.696 . . . . 0.0 110.123 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 tt -63.35 -31.05 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.01 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.315 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -52.59 -38.75 60.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.91 -50.9 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.075 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.3 -44.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.32 -42.46 93.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.964 0.411 . . . . 0.0 110.577 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.11 -50.73 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.459 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.1 t -64.42 -35.9 82.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.968 0.413 . . . . 0.0 110.51 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.48 -39.58 91.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.031 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.38 -22.13 26.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.559 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmm -76.27 -37.16 57.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.06 -17.25 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.523 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.58 -41.85 98.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.872 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -91.87 6.32 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.862 -1.065 . . . . 0.0 110.599 -179.73 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.92 -32.64 80.58 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.53 79.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.656 0.265 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.87 -42.68 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 36.5 mm -57.36 -45.11 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.482 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.29 -19.01 0.12 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.3 mt -84.3 -36.36 22.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.595 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.09 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 -179.388 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -61.18 -21.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.489 . . . . 0.0 110.699 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.42 -54.06 31.81 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.536 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -56.53 -38.64 81.77 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -44.7 -16.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 O-C-N 122.767 -0.255 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.2 p -67.99 -19.29 24.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-O 121.917 0.865 . . . . 0.0 110.362 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.86 -23.74 30.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -59.2 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.059 0.457 . . . . 0.0 111.918 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -53.58 -36.79 62.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -54.4 31.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.86 -41.63 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -69.28 -44.16 80.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -49.55 -53.33 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.144 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -60.58 -43.32 97.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.46 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.32 -39.67 73.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.144 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.89 -24.68 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.601 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.1 mmm -74.1 -39.68 63.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.02 -21.06 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.627 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.708 ' HZ3' ' HZ3' ' B' ' 30' ' ' LYS . 67.0 mttm -70.34 -42.2 72.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.979 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -92.89 -3.97 53.66 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 117.558 -1.21 . . . . 0.0 110.701 -179.539 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -33.47 81.19 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.04 77.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.732 0.301 . . . . 0.0 110.695 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.19 -42.9 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' B' ' 12' ' ' MET . 38.1 mm -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.81 -18.9 0.14 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.3 mt -84.12 -35.8 23.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 110.594 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -61.95 -64.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.687 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.2 m -61.13 -21.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.053 0.454 . . . . 0.0 110.669 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.83 -53.91 31.53 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.51 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -56.43 -38.5 80.05 Favored Glycine 0 C--O 1.225 -0.447 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -44.94 -16.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.626 0.251 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' B' ' 15' ' ' GLY . 7.3 p -67.73 -19.2 24.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.832 0.825 . . . . 0.0 110.439 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.74 -23.88 30.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -59.22 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.897 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -53.84 -36.87 63.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.98 -54.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.031 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.59 -41.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.17 -44.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.844 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.7 -53.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.174 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -60.54 -42.97 97.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 110.396 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.56 -39.71 73.93 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.055 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.63 -24.84 35.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.509 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.2 mmm -73.95 -39.6 63.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 0.0 110.646 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -70.33 -20.99 62.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.708 ' HZ3' ' HZ3' ' A' ' 30' ' ' LYS . 67.1 mttm -70.36 -41.7 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -93.62 -4.02 51.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.702 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 117.577 -1.201 . . . . 0.0 110.741 -179.526 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.13 74.05 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.25 -32.74 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.635 0.255 . . . . 0.0 110.768 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.17 -43.72 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.784 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' MET . 23.0 pt -58.97 -33.12 49.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.3 0.52 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.9 mt -80.86 -31.19 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 9' ' ' ILE . 25.3 ttt -64.57 -63.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -58.97 -20.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.55 -56.88 14.66 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.65 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -53.59 -39.24 60.16 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -47.0 -19.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 O-C-N 122.621 -0.341 . . . . 0.0 110.465 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 20' ' ' THR . 94.1 t -69.61 -21.86 24.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 122.153 0.978 . . . . 0.0 110.12 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.0 mm -59.71 -18.81 15.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.091 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -56.64 5.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -50.42 -45.07 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.582 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.49 -47.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.01 -43.98 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.44 -40.8 85.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.059 0.457 . . . . 0.0 110.431 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.32 -50.12 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.089 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -63.8 -36.29 83.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.007 0.432 . . . . 0.0 110.006 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.81 -39.59 94.6 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.401 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.38 -22.6 28.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -33.36 42.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.633 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.39 -19.74 59.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.95 -41.59 97.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.635 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HZ2' ' CB ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -92.17 4.63 52.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.513 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 tttm . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.85 -26.93 73.79 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.32 -31.97 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.743 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.8 -43.6 93.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.669 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' B' ' 12' ' ' MET . 23.2 pt -59.25 -33.55 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.648 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.76 -19.13 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.6 mt -80.86 -31.47 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.689 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.465 ' N ' ' O ' ' B' ' 9' ' ' ILE . 24.5 ttt -64.47 -63.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.9 m -58.96 -19.89 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.5 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.74 -56.91 14.05 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -53.53 -39.43 60.21 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 t -47.0 -19.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.63 -0.336 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 15' ' ' GLY . 97.3 t -69.66 -21.89 24.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-O 122.145 0.974 . . . . 0.0 110.1 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.55 -18.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.18 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.88 -56.47 5.15 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER -50.41 -44.36 55.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.536 -179.185 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.99 -47.37 93.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 64.2 mt -55.09 -44.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.21 -40.44 85.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.0 0.429 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 mm -52.73 -50.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.92 -35.99 82.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.093 0.473 . . . . 0.0 110.037 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.99 -39.85 95.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.408 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.27 -22.79 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.0 mtt -78.99 -33.43 45.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -75.48 -20.27 58.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.39 -41.51 98.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.591 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.482 ' CB ' ' HZ2' ' B' ' 31' ' ' LYS . 0.5 OUTLIER -92.18 4.83 52.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.676 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.504 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.0 pttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.76 -25.91 68.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.12 -32.44 24.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.469 0.176 . . . . 0.0 111.297 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.72 -43.34 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' MET . 34.2 pt -62.21 -35.79 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.076 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.52 -19.71 0.3 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 9' ' ' ILE . 59.4 mt -73.37 -36.36 66.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.095 0.474 . . . . 0.0 110.431 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -59.71 -63.26 1.37 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.538 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' N ' ' SD ' ' A' ' 12' ' ' MET . 33.8 m -62.17 -20.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.83 -61.27 6.32 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.02 -38.55 86.16 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.352 -0.451 . . . . 0.0 112.132 -178.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.8 t -46.4 -19.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 15' ' ' GLY . 76.4 t -60.97 -19.2 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.751 0.786 . . . . 0.0 109.692 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 tp -62.3 -34.0 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.54 -59.82 4.18 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.91 -37.61 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.49 -49.2 85.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 22' ' ' ILE . 82.2 mt -56.47 -45.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.366 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.7 -41.94 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 110.838 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.7 mt -53.83 -48.76 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.308 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -65.72 -36.59 84.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.698 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.09 -39.17 88.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.254 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.73 -22.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.715 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -73.96 -36.69 64.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.081 0.467 . . . . 0.0 109.95 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 3.9 mm? -76.82 -18.99 58.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.71 -41.69 95.83 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.411 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -92.5 4.67 53.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.1 -0.953 . . . . 0.0 110.338 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.84 -25.9 68.37 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.15 -32.42 24.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.231 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.76 -43.4 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' B' ' 12' ' ' MET . 33.7 pt -62.11 -35.92 71.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.48 -19.69 0.29 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' B' ' 9' ' ' ILE . 59.2 mt -73.42 -36.32 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.043 0.449 . . . . 0.0 110.389 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.4 OUTLIER -59.75 -63.22 1.38 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.504 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.438 ' N ' ' SD ' ' B' ' 12' ' ' MET . 33.7 m -62.17 -20.77 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.73 -61.4 6.23 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.01 -38.53 86.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.057 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -46.39 -19.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.806 0.336 . . . . 0.0 111.052 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.91 -19.18 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 109.675 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 tp -62.34 -33.93 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.941 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -59.76 4.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.99 -37.55 69.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.48 -49.23 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.7 mt -56.43 -45.85 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.444 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.83 -41.77 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.584 0.23 . . . . 0.0 110.846 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mt -54.02 -48.65 63.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.27 -178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -65.78 -36.59 83.97 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.654 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.11 -39.09 88.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.86 -22.8 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.673 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -74.06 -36.78 64.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.862 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' B' ' 29' ' ' LEU . 3.8 mm? -76.72 -18.92 58.22 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.81 -41.71 95.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.366 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -92.49 4.65 53.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.313 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.9 96.88 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.79 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.501 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.84 -55.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.671 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 12' ' ' MET . 37.2 mm -63.37 -48.9 85.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.872 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.43 -53.87 4.11 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.29 -21.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.618 0.246 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 22.3 ttt -41.82 -57.12 2.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.362 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' VAL . 10.8 m -55.98 -41.61 68.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.702 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' VAL . . . -30.54 -51.45 0.21 Allowed Glycine 0 CA--C 1.527 0.805 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.496 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.12 -39.33 80.18 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.028 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 34.0 t -47.26 -17.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 122.6 -0.353 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.431 ' N ' ' C ' ' A' ' 15' ' ' GLY . 94.9 t -69.18 -22.42 25.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.361 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.02 -19.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.129 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -55.08 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -51.41 -39.62 57.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.082 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.72 -50.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 109.714 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.72 -45.77 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.68 -42.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.76 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.81 -53.18 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.978 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.87 -38.87 89.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.29 -39.79 88.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.5 t -62.24 -25.19 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.704 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.58 -39.81 57.54 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.857 0.36 . . . . 0.0 111.248 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 9.8 mp -81.84 -18.6 43.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.684 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.763 ' HZ1' ' HZ1' ' B' ' 30' ' ' LYS . 13.0 mtpp -76.31 -23.07 54.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.003 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.5 2.1 44.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.919 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.388 179.722 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.46 -38.43 96.34 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.16 -55.01 39.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.84 -55.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.622 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' B' ' 12' ' ' MET . 37.7 mm -63.31 -48.82 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.907 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.35 -53.85 4.05 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -46.26 -21.93 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.713 0.292 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' B' ' 9' ' ' ILE . 21.6 ttt -41.83 -57.11 2.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.416 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' VAL . 10.8 m -56.11 -41.42 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.813 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' B' ' 13' ' ' VAL . . . -30.56 -51.18 0.21 Allowed Glycine 0 CA--C 1.527 0.838 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.437 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.3 -39.58 82.73 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.137 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 13' ' ' VAL . 36.3 t -47.02 -17.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.562 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' B' ' 15' ' ' GLY . 94.7 t -69.21 -22.51 25.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-O 121.315 0.579 . . . . 0.0 110.345 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.08 -20.03 5.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.012 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -55.26 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.238 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -51.21 -39.45 56.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.66 -50.24 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 109.692 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.5 mt -53.78 -45.71 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.7 -42.64 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.816 0.341 . . . . 0.0 110.75 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.96 -53.1 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.04 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.85 -38.93 90.04 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.24 -39.82 88.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.26 -24.96 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.65 -39.65 57.34 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' B' ' 29' ' ' LEU . 9.8 mp -82.11 -18.27 43.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.68 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.763 ' HZ1' ' HZ1' ' A' ' 30' ' ' LYS . 13.0 mtpp -76.66 -22.64 53.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.92 2.2 43.47 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.943 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.466 179.743 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.47 93.31 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.46 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.682 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.96 -42.54 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.96 -43.13 98.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.69 2.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -76.74 -30.18 56.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.264 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.37 -63.65 1.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.04 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.51 -19.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.2 17.6 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.37 -36.38 76.22 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.725 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.5 t -46.91 -17.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 122.542 -0.387 . . . . 0.0 111.02 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 15' ' ' GLY . 8.6 p -67.87 -24.43 30.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-O 121.22 0.533 . . . . 0.0 110.641 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.75 -22.61 6.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.84 -55.98 21.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.141 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -49.78 -39.91 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.92 -50.36 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.9 mt -55.31 -50.06 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.86 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.42 -44.19 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.489 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.9 mt -57.63 -51.34 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.768 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -71.06 -36.72 72.41 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.772 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.7 mt -51.37 -49.11 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.821 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -47.7 -56.21 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.569 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.33 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.61 -23.37 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.524 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 26' ' ' LEU . 56.7 tttt -62.33 -40.54 96.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.6 15.14 26.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.472 179.166 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.05 -36.33 93.12 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.23 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.11 -42.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.499 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.87 -43.09 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.731 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.64 -18.67 2.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -76.9 -30.02 56.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.855 0.36 . . . . 0.0 110.256 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.32 -63.62 1.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.59 -19.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.206 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.37 -57.28 17.41 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -57.47 -36.38 76.94 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.3 t -46.85 -17.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 122.582 -0.363 . . . . 0.0 110.997 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.414 ' N ' ' C ' ' B' ' 15' ' ' GLY . 8.8 p -67.96 -24.31 30.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-O 121.284 0.564 . . . . 0.0 110.687 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.88 -22.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.007 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.88 -55.95 21.65 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -49.85 -39.93 40.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.8 -50.35 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.853 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.42 -49.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.52 -44.26 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.475 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.62 -51.28 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.721 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -71.18 -36.61 72.02 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.697 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 30' ' ' LYS . 12.7 mt -51.37 -49.05 62.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.844 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -47.72 -56.27 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.457 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.36 -40.24 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.179 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.57 -23.31 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.513 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' B' ' 26' ' ' LEU . 56.2 tttt -62.24 -40.72 97.08 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.41 14.98 26.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.361 179.187 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.01 98.16 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.49 64.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.426 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -40.92 -53.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.87 -47.01 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.006 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' MET . . . -39.08 -49.92 2.72 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -41.94 -22.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.487 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' GLY . 24.5 ttt -49.96 -62.5 1.53 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.979 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -62.56 -18.74 21.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.342 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.12 -55.43 23.98 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.628 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.21 -33.09 51.67 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.9 t -49.5 -17.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.704 0.288 . . . . 0.0 110.658 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' GLY . 8.1 p -67.47 -26.38 35.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-O 121.09 0.471 . . . . 0.0 110.611 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mm -53.76 -19.08 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.66 -54.71 23.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.193 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 2.0 t -49.83 -41.5 45.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' THR . 81.1 t -63.36 -50.45 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -54.81 -46.67 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.19 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.705 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.87 -51.31 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.07 -37.7 88.41 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.842 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.73 -43.16 98.24 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.45 -22.97 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.962 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.9 mmm -80.31 -44.08 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.49 -8.67 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.613 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -83.91 -20.53 32.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.147 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -107.71 3.35 24.53 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.733 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.23 98.99 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.37 -52.68 64.19 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -41.07 -53.5 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.468 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.83 -47.4 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.009 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -38.8 -49.73 2.53 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.07 -22.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.556 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.466 ' N ' ' O ' ' B' ' 10' ' ' GLY . 24.8 ttt -50.19 -62.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.895 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 m -62.6 -18.76 21.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.315 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.05 -55.24 25.31 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -54.49 -33.28 53.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -49.3 -17.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.675 0.274 . . . . 0.0 110.66 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.411 ' N ' ' C ' ' B' ' 15' ' ' GLY . 8.3 p -67.43 -26.26 35.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-O 121.142 0.496 . . . . 0.0 110.687 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.7 mm -53.82 -19.3 2.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.109 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.47 -54.8 23.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 2.1 t -49.78 -41.54 44.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 20' ' ' THR . 86.2 t -63.21 -50.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.082 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 80.5 mt -54.83 -46.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.08 -41.98 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.743 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.96 -51.23 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.993 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.14 -37.71 88.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.721 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.182 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.42 -23.03 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.881 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 26.5 mmm -80.29 -43.96 20.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.31 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.58 -8.79 59.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.625 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -83.81 -20.73 32.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.147 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -107.48 3.46 25.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.446 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptp . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.09 74.57 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.63 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.664 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -43.61 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.432 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.62 -25.95 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.47 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.74 -22.29 25.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.28 -29.93 57.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -67.06 -63.26 1.1 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.94 -21.23 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.62 -59.68 8.92 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 17' ' ' VAL . . . -51.65 -40.0 47.22 Favored Glycine 0 C--O 1.224 -0.496 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 t -46.39 -16.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 122.47 -0.429 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 15' ' ' GLY . 4.1 p -74.0 -28.03 23.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 18' ' ' ILE . 45.8 mm -52.65 -19.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 O-C-N 123.836 0.71 . . . . 0.0 110.103 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.95 -58.25 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 3.9 t -46.99 -40.35 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.433 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.444 ' N ' ' CG2' ' A' ' 20' ' ' THR . 94.4 t -67.04 -53.29 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.378 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -45.67 -49.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.57 -46.75 94.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.184 0.516 . . . . 0.0 110.395 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.07 -59.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.621 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 33.2 mt -57.93 -51.16 70.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.899 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.53 -60.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 123.328 0.392 . . . . 0.0 110.457 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.5 mtm -54.72 -38.41 67.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.596 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.66 -21.77 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.19 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . 39.4 tttm -63.96 -41.19 97.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -104.16 18.15 22.67 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.355 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.516 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.4 tptp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 -23.65 74.09 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.25 -34.48 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.705 0.288 . . . . 0.0 110.72 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.36 -43.81 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 pt -64.61 -26.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.99 -22.17 19.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.5 mt -76.06 -30.55 58.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.5 ttt -66.67 -63.28 1.1 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 m -56.69 -21.34 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.75 -59.58 8.99 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' B' ' 17' ' ' VAL . . . -51.49 -40.09 46.18 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 t -46.5 -16.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.969 0.414 . . . . 0.0 110.714 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' B' ' 15' ' ' GLY . 4.2 p -73.36 -28.05 24.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.27 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.3 mm -52.64 -19.55 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.816 0.697 . . . . 0.0 110.107 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.3 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 3.7 t -46.87 -41.02 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 20' ' ' THR . 95.7 t -66.25 -53.36 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.268 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -45.83 -49.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.938 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.37 -46.52 95.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.119 0.485 . . . . 0.0 110.42 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.14 -59.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -60.41 -41.43 93.88 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' B' ' 30' ' ' LYS . 31.2 mt -58.2 -51.18 70.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.888 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -47.44 -60.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.233 0.333 . . . . 0.0 110.349 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 78.6 mtm -54.98 -38.15 67.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.88 -21.96 43.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' B' ' 26' ' ' LEU . 38.9 tttm -63.71 -41.36 98.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.254 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -103.86 18.08 22.73 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.579 -179.865 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HZ3' ' CB ' ' A' ' 5' ' ' LYS . 10.0 mtpm? . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -34.5 90.11 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.67 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.721 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.4 mt -70.23 -44.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.828 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.48 -43.05 98.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.432 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 12' ' ' MET . . . -37.02 -47.65 1.35 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 14' ' ' GLY . 62.8 mt -44.23 -21.59 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.833 0.349 . . . . 0.0 110.771 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' GLY . 25.4 ttt -42.88 -51.4 5.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.316 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -67.93 -21.5 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.603 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.96 -51.04 61.08 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.62 -32.53 69.43 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.17 -16.69 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.863 0.363 . . . . 0.0 110.659 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' ALA . 57.5 t -64.72 -53.57 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.14 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.3 mt -41.82 -19.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.77 0.319 . . . . 0.0 110.811 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.64 -55.34 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 6.4 t -58.32 -41.96 85.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.139 0.495 . . . . 0.0 110.485 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 20' ' ' THR . 79.5 t -59.62 -49.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.01 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.08 -33.54 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.921 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -77.31 -48.52 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 24' ' ' ILE . 82.1 mt -51.91 -48.61 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 t -66.62 -45.66 78.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 mt -58.98 -39.25 81.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.075 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -56.33 -49.19 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.064 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LYS . 67.4 mtt -58.69 -32.08 68.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.765 0.317 . . . . 0.0 110.601 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.7 mt -79.7 -14.68 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.713 ' HZ1' ' HZ1' ' B' ' 30' ' ' LYS . 95.4 mttt -86.64 -9.92 54.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.674 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HZ3' ' CB ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -150.62 18.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' MET . 64.8 tttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.487 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.452 ' HZ3' ' CB ' ' B' ' 5' ' ' LYS . 10.0 mtpm? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.75 90.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.26 97.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.625 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.82 -44.13 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.766 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.32 -42.85 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.236 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -37.02 -47.92 1.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' GLY . 61.1 mt -44.09 -21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.702 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 10' ' ' GLY . 25.2 ttt -42.84 -51.24 5.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.11 -21.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.06 0.457 . . . . 0.0 110.585 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.62 -50.97 61.78 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.59 -32.45 69.15 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -66.59 -16.88 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' ALA . 58.5 t -64.35 -53.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.158 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -42.14 -19.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.726 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.94 -55.08 22.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.19 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 6.1 t -58.23 -41.91 85.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.167 0.508 . . . . 0.0 110.397 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' B' ' 20' ' ' THR . 75.9 t -59.89 -49.57 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.08 -32.95 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.907 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.58 -48.76 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.42 HD12 HG22 ' B' ' 24' ' ' ILE . 84.0 mt -51.82 -48.71 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.856 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.9 t -66.29 -45.71 79.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.597 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.4 mt -59.14 -39.27 81.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.179 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.403 ' CG2' ' HZ2' ' A' ' 30' ' ' LYS . 32.6 t -56.24 -49.38 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.979 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -58.55 -31.91 68.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.661 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.92 -14.85 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.713 ' HZ1' ' HZ1' ' A' ' 30' ' ' LYS . 95.3 mttt -86.56 -9.67 55.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.628 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.48 ' HZ3' ' CB ' ' B' ' 31' ' ' LYS . 0.8 OUTLIER -151.02 19.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.525 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.22 -33.42 75.16 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.02 82.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.615 0.245 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 8' ' ' ILE . 97.1 mt -68.54 -43.68 83.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.943 0.401 . . . . 0.0 110.725 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.64 -42.73 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.151 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.19 -52.77 1.65 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' GLY . 59.0 mt -45.08 -23.53 0.16 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.549 0.214 . . . . 0.0 111.238 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.25 -53.5 6.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.54 -21.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.527 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.2 -50.79 63.78 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.08 -33.84 81.19 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.94 -17.08 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.926 0.393 . . . . 0.0 110.716 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' ALA . 98.8 t -63.09 -52.21 61.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.396 -0.522 . . . . 0.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.3 mt -41.17 -20.78 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.115 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.842 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.21 -55.72 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 5.8 t -57.91 -41.83 83.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 20' ' ' THR . 72.2 t -59.99 -48.7 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.745 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.7 -36.99 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.723 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.41 -48.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.0 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -52.48 -48.46 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.355 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -67.55 -44.0 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.498 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -54.26 -55.23 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.951 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.9 mtt -52.82 -30.86 35.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.752 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.8 -17.15 48.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.582 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.712 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 96.5 mttt -86.05 -13.49 47.23 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.771 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.59 15.13 2.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.523 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.57 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.21 -33.44 75.2 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.05 82.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.645 0.26 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.55 -43.59 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.711 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.64 -42.74 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.141 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.28 -52.6 1.7 Allowed Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' B' ' 14' ' ' GLY . 59.7 mt -45.24 -23.44 0.18 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.617 0.246 . . . . 0.0 111.345 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.49 -53.27 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.119 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.83 -21.76 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.227 0.537 . . . . 0.0 110.275 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.14 -50.92 62.44 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -33.78 80.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.14 -17.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' B' ' 19' ' ' ALA . 94.9 t -63.07 -52.23 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.769 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.3 mt -41.12 -20.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.772 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.13 -55.73 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.906 0.384 . . . . 0.0 110.033 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 5.8 t -57.87 -41.85 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.582 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.437 ' N ' ' CG2' ' B' ' 20' ' ' THR . 69.3 t -59.98 -48.81 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.846 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -54.54 -36.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.673 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.5 -48.33 41.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.05 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.401 HG22 HD13 ' B' ' 24' ' ' ILE . 79.2 mt -52.49 -48.35 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.428 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -67.54 -44.03 79.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.47 -41.4 94.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.587 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.2 -55.23 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.053 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -52.72 -30.98 35.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.732 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.72 -17.33 48.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.712 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 96.5 mttt -85.8 -13.64 47.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.27 14.83 2.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.556 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.73 -30.95 73.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.79 90.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 110.666 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.418 HG22 HD13 ' A' ' 8' ' ' ILE . 97.0 mt -66.5 -43.12 91.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.629 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -62.29 -42.84 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.341 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.29 -20.29 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ILE . 54.4 mt -77.87 -34.37 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.812 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.3 ttt -61.17 -63.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.676 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.62 -20.87 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.02 -56.6 19.82 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.75 -39.16 75.73 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -47.24 -18.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.596 -0.355 . . . . 0.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 ' N ' ' C ' ' A' ' 15' ' ' GLY . 99.1 t -70.55 -23.69 24.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 CA-C-O 121.261 0.553 . . . . 0.0 110.24 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.82 -21.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -56.84 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.371 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 2.0 t -48.97 -41.11 33.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.784 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' THR . 70.4 t -63.89 -50.64 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.085 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.5 -47.35 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.11 -44.18 99.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.498 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.16 -52.53 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.097 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -67.96 -36.9 80.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.189 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.269 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.0 t -48.94 -60.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.955 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -54.36 -37.86 65.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.412 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.64 -32.67 71.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -64.49 -44.14 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -101.07 4.64 42.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.605 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.43 76.51 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.61 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.7 0.286 . . . . 0.0 110.721 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.38 -43.22 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.644 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.2 mm -62.35 -42.8 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.354 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.21 -20.27 0.28 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' B' ' 9' ' ' ILE . 56.0 mt -77.72 -34.88 52.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.906 0.384 . . . . 0.0 110.798 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.4 ttt -60.94 -63.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.2 m -58.46 -20.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.97 -56.44 20.84 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.69 -39.35 75.75 Favored Glycine 0 N--CA 1.464 0.555 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.7 t -47.24 -18.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 122.626 -0.338 . . . . 0.0 110.734 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' B' ' 15' ' ' GLY . 98.0 t -70.49 -23.73 24.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 121.307 0.575 . . . . 0.0 110.363 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.404 HG23 HD13 ' B' ' 18' ' ' ILE . 96.5 mt -55.83 -21.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.207 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.36 -56.97 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.475 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' B' ' 21' ' ' VAL . 2.0 t -49.04 -41.06 33.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.424 ' N ' ' CG2' ' B' ' 20' ' ' THR . 71.0 t -63.84 -50.4 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.147 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.73 -47.49 62.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.01 -44.23 99.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.457 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.2 -52.31 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -68.03 -36.78 80.5 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.1 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.36 -48.38 82.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.293 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.98 -59.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -54.36 -37.8 65.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.77 -32.61 71.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.761 0.315 . . . . 0.0 111.199 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -64.54 -44.18 91.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.899 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -100.95 4.52 42.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.514 179.778 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.55 -32.71 85.09 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.58 -27.52 19.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.51 -43.87 83.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 120.945 0.403 . . . . 0.0 110.905 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.412 ' O ' ' CB ' ' A' ' 12' ' ' MET . 2.2 pp -58.59 -41.15 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.273 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' MET . . . -36.99 -57.78 1.27 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 mt -40.92 -25.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.706 0.289 . . . . 0.0 110.589 -178.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLY . 28.5 ttt -52.65 -64.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 m -63.14 -19.01 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 179.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -56.22 19.4 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.595 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.32 61.94 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.17 -18.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 110.788 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.2 -20.21 26.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 CA-C-O 121.477 0.656 . . . . 0.0 109.771 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.33 -22.4 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.794 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.57 -58.15 7.15 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -38.35 62.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.59 -50.04 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.885 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.25 -43.12 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.95 -41.03 86.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.845 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.4 -49.71 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.767 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -64.67 -37.6 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.466 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.09 -38.95 88.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.109 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.34 -22.48 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.645 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.7 mtt -76.4 -35.67 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 4.0 mm? -76.1 -16.95 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.45 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.49 -41.72 98.56 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.582 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -95.17 6.17 49.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.981 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.714 179.975 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.36 -32.59 84.67 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.41 -27.67 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.633 0.254 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.57 -43.96 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' B' ' 10' ' ' GLY . 2.2 pp -58.43 -40.95 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.181 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -37.17 -57.8 1.33 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 mt -40.95 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.587 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' MET . . . . . 0.448 ' N ' ' O ' ' B' ' 10' ' ' GLY . 28.4 ttt -53.4 -64.17 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 15.1 m -63.09 -19.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.579 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.92 -56.11 20.55 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.581 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.15 -34.79 62.98 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -48.72 -18.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.769 0.319 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.23 -20.16 26.79 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 121.532 0.682 . . . . 0.0 109.801 179.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.67 -22.3 29.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.745 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.09 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.903 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.44 62.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.615 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.42 -49.92 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.888 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.56 -43.16 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.82 -41.1 87.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.742 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mm -52.44 -49.66 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -64.79 -37.39 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.413 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.22 -39.0 88.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.37 -22.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.657 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.27 -35.6 58.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' B' ' 29' ' ' LEU . 4.0 mm? -76.28 -17.07 59.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.32 -41.49 98.91 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.579 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 32' ' ' LYS . 22.8 pttp -95.4 6.21 49.59 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 31' ' ' LYS . 6.7 ptmm? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.957 -1.02 . . . . 0.0 111.731 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 108.333 -0.988 . . . . 999.99 108.333 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.47 -32.39 81.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.415 -1.074 . . . . 113.42 110.415 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.13 81.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.703 -0.249 . . . . 70.04 111.459 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.08 -43.89 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.338 . . . . 185.23 110.398 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.4 mt -63.09 -39.29 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.186 -0.461 . . . . 626.12 110.936 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -17.13 0.13 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.062 -0.815 . . . . 97.27 111.062 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 57.8 mt -77.95 -34.18 51.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 115.07 110.689 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' ILE . 22.8 ttt -60.19 -63.66 1.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.003 -0.544 . . . . 137.76 110.718 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.49 -20.58 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.22 -0.446 . . . . 36.99 110.299 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -55.78 25.51 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.185 -0.766 . . . . 19.98 111.185 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.56 -36.82 79.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.627 -0.589 . . . . 11.76 111.627 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.05 -18.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.761 -0.258 . . . . 13.76 110.747 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 20' ' ' THR . 73.8 t -67.41 -22.28 28.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.392 0.615 . . . . 96.87 109.825 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -24.05 29.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.389 -0.823 . . . . 181.43 110.08 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.66 -58.71 7.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.428 -0.351 . . . . 4.78 110.993 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.2 t -52.56 -38.29 59.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 37.5 111.069 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.39 -50.7 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.645 -0.502 . . . . 46.75 109.645 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -56.1 -44.59 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.077 -0.712 . . . . 9.91 109.077 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 27' ' ' VAL . 98.2 t -65.93 -43.63 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.388 . . . . 18.24 111.165 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.7 mt -52.13 -49.22 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 121.018 -0.273 . . . . 125.6 111.52 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.74 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.259 -0.576 . . . . 39.62 110.14 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -42.17 98.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.793 -0.639 . . . . 76.83 109.663 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' VAL . 91.0 t -55.62 -23.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.654 0.264 . . . . 115.63 110.826 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtt -80.05 -34.86 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.981 0.42 . . . . 125.49 110.673 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.3 mt -78.49 -19.8 52.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 340.21 110.9 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -61.89 -41.49 97.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.759 -0.377 . . . . 572.02 110.983 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -95.75 11.58 33.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.851 -0.34 . . . . 600.75 110.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.053 -0.975 . . . . 999.99 110.705 179.168 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.334 -0.987 . . . . 999.99 108.334 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.42 81.62 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.38 -1.088 . . . . 113.38 110.38 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.14 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.683 -0.259 . . . . 68.65 111.487 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.05 -43.88 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.79 0.329 . . . . 186.84 110.376 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' B' ' 12' ' ' MET . 1.4 mt -63.06 -39.38 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.21 -0.45 . . . . 626.07 110.923 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.41 -17.15 0.12 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.004 -0.838 . . . . 97.5 111.004 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' B' ' 9' ' ' ILE . 57.4 mt -77.99 -34.17 51.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 115.59 110.716 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.485 ' N ' ' O ' ' B' ' 9' ' ' ILE . 22.9 ttt -60.11 -63.76 1.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.016 -0.538 . . . . 138.75 110.72 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.41 -20.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 36.63 110.357 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.4 -55.79 25.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.181 -0.768 . . . . 19.96 111.181 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.92 79.73 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.617 -0.593 . . . . 11.95 111.617 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.401 ' H ' HG23 ' B' ' 16' ' ' VAL . 16.8 t -49.08 -18.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.619 0.247 . . . . 13.83 110.747 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.453 ' O ' HG22 ' B' ' 20' ' ' THR . 73.6 t -67.54 -22.15 28.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 CA-C-O 121.356 0.598 . . . . 96.94 109.804 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.21 -24.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.386 -0.824 . . . . 179.5 110.032 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.63 -58.78 7.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.817 0.341 . . . . 4.79 111.005 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.3 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 37.72 111.022 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.38 -50.68 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.667 -0.494 . . . . 45.9 109.667 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -56.05 -44.61 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.082 -0.71 . . . . 9.85 109.082 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.433 ' O ' HG23 ' B' ' 27' ' ' VAL . 98.3 t -66.0 -43.63 92.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.304 -0.407 . . . . 17.83 111.144 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.16 -49.24 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 121.055 -0.258 . . . . 124.61 111.487 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.75 -37.75 88.66 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.207 -0.597 . . . . 39.27 110.129 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.81 -42.16 98.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.845 -0.616 . . . . 74.83 109.689 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 23' ' ' VAL . 90.6 t -55.62 -23.26 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.673 0.273 . . . . 115.25 110.787 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 36.4 mtt -80.12 -34.68 37.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.95 0.405 . . . . 125.65 110.679 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.61 -19.66 52.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 338.6 110.928 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -61.93 -41.55 98.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.815 -0.354 . . . . 565.7 110.945 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -95.73 11.6 32.91 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.865 -0.334 . . . . 597.86 110.468 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.033 -0.984 . . . . 999.99 110.677 179.224 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.27 95.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.54 96.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.688 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.17 -42.86 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' MET . 98.0 mt -61.81 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.69 0.09 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.5 mt -77.37 -36.18 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.809 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.3 ttt -59.53 -63.9 1.14 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.64 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.29 -20.32 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.01 15.35 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.57 -38.02 69.62 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 16' ' ' VAL . 14.2 t -47.11 -19.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.69 0.281 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' GLY . 82.0 t -66.94 -21.25 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-O 121.365 0.603 . . . . 0.0 109.818 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -25.79 38.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.33 -59.23 5.3 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.955 0.407 . . . . 0.0 111.839 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 -37.37 59.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.257 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 24' ' ' ILE . 70.5 t -61.87 -49.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.77 -44.67 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.37 -42.55 93.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.921 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 21' ' ' VAL . 20.9 mt -52.43 -49.64 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.267 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.46 -35.51 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.071 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.56 -23.46 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.699 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.1 mtt -77.31 -34.6 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 110.618 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.49 -17.54 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HZ1' ' NZ ' ' B' ' 30' ' ' LYS . 67.9 mttm -63.85 -42.22 97.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.596 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -96.18 5.1 51.81 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.944 0.402 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.671 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.45 96.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.53 96.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.726 0.298 . . . . 0.0 110.774 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.06 -42.84 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.618 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 12' ' ' MET . 98.2 mt -61.82 -43.26 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.531 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.76 0.09 OUTLIER Glycine 0 CA--C 1.527 0.822 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' B' ' 9' ' ' ILE . 52.4 mt -77.26 -36.3 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.793 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.497 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.4 ttt -59.49 -63.81 1.17 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.702 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.42 -20.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.75 -57.05 15.61 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.7 -37.86 70.14 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 t -47.19 -19.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.657 0.265 . . . . 0.0 110.577 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.87 -21.28 28.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 CA-C-O 121.423 0.63 . . . . 0.0 109.825 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.25 -25.74 38.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.29 -59.19 5.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.984 0.421 . . . . 0.0 111.904 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -37.25 61.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.139 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' B' ' 24' ' ' ILE . 70.2 t -61.88 -49.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.81 -44.51 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.53 -42.6 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.872 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' B' ' 21' ' ' VAL . 20.8 mt -52.52 -49.6 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.173 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.39 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.286 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.81 -39.76 95.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.09 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.57 -23.5 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.3 mtt -77.22 -34.62 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.949 0.404 . . . . 0.0 110.611 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.45 -17.57 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.647 ' NZ ' ' HZ1' ' A' ' 30' ' ' LYS . 67.9 mttm -63.84 -42.29 97.64 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.693 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -96.11 5.18 51.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.648 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 -29.05 70.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.52 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.7 -43.56 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -61.84 -42.96 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.43 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.72 -19.47 0.11 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' ILE . 47.2 mt -80.47 -33.73 36.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.6 ttt -61.45 -63.14 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.55 -19.22 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.478 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -65.15 -58.65 9.19 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -52.13 -38.69 48.7 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -45.75 -18.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.835 0.35 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 20' ' ' THR . 8.9 p -67.64 -25.76 33.72 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.2 mt -52.69 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.64 -55.62 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -47.68 -40.8 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' THR . 77.3 t -63.26 -51.16 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 25' ' ' THR . 73.4 mt -54.9 -47.16 76.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.68 -42.29 94.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.015 0.436 . . . . 0.0 110.212 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.54 -53.66 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.141 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 22' ' ' ILE . 1.8 t -60.63 -36.68 79.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.435 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.68 -39.39 93.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.4 -23.39 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.43 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.82 -36.06 62.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.2 mp -73.83 -20.93 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.701 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 65.8 mttm -63.32 -40.67 97.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -92.19 3.53 55.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.571 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -29.92 72.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.15 93.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.44 -43.25 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.825 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.3 mm -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.319 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.22 -19.5 0.13 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 9' ' ' ILE . 47.2 mt -80.3 -33.44 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.5 ttt -61.57 -63.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.63 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.43 -19.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.572 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.555 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.97 -58.71 9.2 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -52.02 -38.5 47.39 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -45.88 -18.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.81 0.338 . . . . 0.0 110.636 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.555 HG12 ' O ' ' B' ' 14' ' ' GLY . 9.1 p -67.78 -25.06 31.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 93.2 mt -53.4 -20.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.65 12.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.208 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.541 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -47.58 -41.14 20.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.3 t -63.23 -50.85 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.744 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' B' ' 25' ' ' THR . 75.5 mt -54.86 -47.36 75.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.72 -42.65 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 0.0 110.249 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -50.83 -53.99 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.147 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 22' ' ' ILE . 2.0 t -60.8 -36.03 77.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.21 0.319 . . . . 0.0 110.474 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.04 -39.66 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.1 -22.96 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.39 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -75.51 -36.5 60.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.455 HD12 ' N ' ' B' ' 29' ' ' LEU . 11.2 mp -73.45 -20.55 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 65.2 mttm -63.67 -41.39 98.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.762 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -91.32 3.53 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.608 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.85 -22.35 69.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.6 -29.45 16.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.72 0.295 . . . . 0.0 110.93 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.98 -43.17 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.78 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' MET . 2.3 pp -61.35 -39.18 81.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.792 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.5 -19.42 0.27 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 9' ' ' ILE . 57.9 mt -77.41 -35.35 54.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.457 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.8 ttt -59.69 -63.31 1.35 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.487 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.31 -19.23 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.14 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.9 -58.15 13.14 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.81 -38.2 72.57 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 16' ' ' VAL . 22.0 t -46.88 -19.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 122.614 -0.344 . . . . 0.0 110.906 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 20' ' ' THR . 92.6 t -68.53 -23.63 28.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-O 121.266 0.555 . . . . 0.0 110.582 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.6 -21.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.152 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.79 -54.18 30.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.184 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.3 t -51.31 -39.75 57.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.805 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.88 -49.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.87 -48.49 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.407 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.77 -42.33 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.824 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.18 -49.77 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.473 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.78 -36.36 84.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.521 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.61 -40.15 96.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.437 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.51 -23.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.789 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.9 mtt -76.32 -34.24 59.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 109.972 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -74.89 -19.8 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.498 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.23 -42.15 99.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.573 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -94.24 5.19 52.54 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.98 -22.26 69.17 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.76 -29.28 16.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.987 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.12 -43.19 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 12' ' ' MET . 2.3 pp -61.26 -39.29 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.816 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -19.29 0.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.1 mt -77.52 -35.28 53.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 110.419 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.496 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.8 ttt -59.67 -63.3 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.52 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.36 -19.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.22 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.11 13.26 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.83 -38.19 72.68 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -46.83 -19.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.547 -0.384 . . . . 0.0 110.937 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 20' ' ' THR . 92.3 t -68.62 -23.61 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 110.52 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.63 -21.03 6.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.155 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.68 -54.3 29.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 111.173 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.3 t -51.21 -39.76 57.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.928 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.85 -49.82 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.02 -48.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.396 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.71 -42.35 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.823 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.6 mt -53.14 -49.8 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.437 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.82 -36.33 83.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.476 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.51 -40.29 96.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.473 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.47 -23.93 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.758 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.6 mtt -76.38 -34.22 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.996 0.427 . . . . 0.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.94 -19.79 59.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.542 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.09 -42.1 99.55 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -94.35 5.13 52.73 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.896 0.379 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.71 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.75 -24.24 71.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 -31.11 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.532 0.206 . . . . 0.0 110.952 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.0 -43.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.869 0.366 . . . . 0.0 110.665 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' MET . 30.1 pt -61.16 -33.1 54.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.54 -17.73 0.28 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 9' ' ' ILE . 51.7 mt -79.05 -34.62 43.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.718 0.294 . . . . 0.0 110.867 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ILE . 27.7 ttt -60.85 -63.89 1.14 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.667 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.63 -20.36 21.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.0 22.52 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.72 -37.39 76.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -47.43 -19.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.59 0.233 . . . . 0.0 110.588 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' GLY . 93.0 t -67.04 -21.06 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.602 0.715 . . . . 0.0 109.734 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.68 -24.76 34.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.878 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.67 -58.99 5.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 111.897 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -37.1 61.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.649 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.84 -49.15 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -55.78 -44.55 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.3 t -66.16 -42.2 90.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.829 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.03 -50.81 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.126 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.82 -37.13 86.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 110.692 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.95 -39.18 91.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.03 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.47 -23.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.67 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmm -75.41 -36.66 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.32 -18.49 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.38 -42.69 96.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.789 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -95.78 3.36 53.86 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.502 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.88 -23.94 71.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.85 -31.15 23.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.504 0.192 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.97 -43.41 92.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 110.672 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' MET . 29.9 pt -61.2 -32.96 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.77 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.78 -17.58 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.443 ' N ' ' C ' ' B' ' 9' ' ' ILE . 51.3 mt -79.06 -34.67 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.444 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.8 ttt -60.75 -63.92 1.13 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.676 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.63 -20.41 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.06 22.16 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.71 -37.19 75.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 18.1 t -47.5 -19.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.578 0.228 . . . . 0.0 110.625 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 15' ' ' GLY . 93.3 t -67.08 -20.99 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 109.814 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.75 -24.66 34.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.88 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -59.01 5.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 111.862 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.414 ' H ' HG22 ' B' ' 20' ' ' THR . 0.7 OUTLIER -53.18 -37.04 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.696 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.9 -49.24 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.68 -44.54 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.3 -42.14 90.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.93 -50.92 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.123 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -63.81 -37.17 86.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.712 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.88 -39.26 91.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.975 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.42 -23.61 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 13.0 mmm -75.45 -36.81 60.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.17 -18.55 60.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.38 -42.66 96.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.772 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -95.66 3.23 54.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.534 -179.856 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.62 93.64 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.29 90.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.632 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.9 -43.06 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.599 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' MET . 96.9 mt -62.58 -42.8 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.392 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.74 -19.66 0.34 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 9' ' ' ILE . 52.4 mt -76.68 -32.37 57.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -64.31 -63.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -55.73 -20.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.94 -56.73 16.94 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.417 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.12 -40.72 67.56 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -46.99 -19.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 122.574 -0.368 . . . . 0.0 110.661 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.514 ' O ' HG22 ' A' ' 20' ' ' THR . 93.0 t -70.99 -25.73 26.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 CA-C-O 121.037 0.446 . . . . 0.0 110.357 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.0 -21.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.192 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -57.04 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 111.264 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.8 t -48.34 -40.59 25.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.794 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' A' ' 20' ' ' THR . 75.4 t -64.38 -51.8 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.343 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -52.49 -47.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG22 HG22 ' B' ' 23' ' ' VAL . 70.2 t -63.64 -44.94 98.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.458 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.53 -54.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.539 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 26' ' ' LEU . 4.9 t -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.87 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' HG23 ' A' ' 25' ' ' THR . 19.2 mt -52.78 -48.08 67.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.357 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 30' ' ' LYS . 54.5 t -49.58 -58.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.214 -0.594 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -43.7 -40.57 4.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.013 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.2 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 111.058 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 27' ' ' VAL . 98.2 mttt -82.16 -8.64 59.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -124.77 0.03 8.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.435 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.97 92.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.2 90.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.93 -43.05 89.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.597 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 12' ' ' MET . 96.9 mt -62.67 -42.96 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.508 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.49 -19.45 0.27 Allowed Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' B' ' 9' ' ' ILE . 51.8 mt -76.53 -33.19 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.984 0.421 . . . . 0.0 110.733 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.481 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -63.59 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.864 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -55.93 -20.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.9 -56.69 17.24 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.12 -40.68 67.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.42 ' H ' HG23 ' B' ' 16' ' ' VAL . 7.5 t -47.12 -19.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.645 -0.327 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.53 ' O ' HG22 ' B' ' 20' ' ' THR . 93.5 t -71.19 -25.5 25.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 121.069 0.462 . . . . 0.0 110.395 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 41.8 mm -56.34 -21.12 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.22 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -57.1 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.351 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.53 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -48.37 -40.55 26.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.417 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.0 t -64.35 -51.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.284 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.7 mt -52.47 -47.4 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 23' ' ' VAL . 72.2 t -63.75 -44.91 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.407 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.61 -53.9 22.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.503 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.441 HG23 ' N ' ' B' ' 26' ' ' LEU . 4.8 t -66.03 -41.23 91.21 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.918 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.441 ' N ' HG23 ' B' ' 25' ' ' THR . 19.2 mt -52.53 -48.08 66.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' B' ' 30' ' ' LYS . 54.9 t -49.66 -58.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.921 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.8 mtt -43.56 -40.62 4.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.986 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.419 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.26 60.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.712 0.291 . . . . 0.0 111.003 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 27' ' ' VAL . 98.2 mttt -82.02 -8.33 59.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -125.22 0.3 7.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.753 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.395 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.09 -22.92 72.79 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.07 -31.77 25.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.52 -43.61 90.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 12' ' ' MET . 27.9 pt -62.61 -34.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.81 -16.9 0.23 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.6 mt -79.68 -32.37 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.765 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.06 -63.61 1.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 -179.428 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.549 ' N ' ' SD ' ' A' ' 12' ' ' MET . 27.7 m -59.32 -21.01 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.648 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.47 -55.67 21.82 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.99 -39.46 68.98 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 t -46.45 -20.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.594 0.235 . . . . 0.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' A' ' 15' ' ' GLY . 97.3 t -68.09 -21.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 0.0 110.165 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -24.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.921 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -59.55 4.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.708 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.16 -35.97 62.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.43 -55.56 20.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-O 121.22 0.534 . . . . 0.0 110.041 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 25' ' ' THR . 67.4 mt -46.3 -39.83 3.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.1 -42.19 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.391 0.615 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -40.97 -51.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.659 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 22' ' ' ILE . 3.1 t -59.18 -37.72 78.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.776 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.46 -26.88 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.589 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.9 mtt -73.62 -35.0 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -76.11 -21.31 56.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HZ3' ' NZ ' ' B' ' 30' ' ' LYS . 68.4 mttm -67.33 -42.6 83.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.955 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.02 0.31 57.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.759 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.449 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.64 -23.23 73.82 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.9 -31.46 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.755 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.55 -43.59 90.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.444 ' C ' ' N ' ' B' ' 11' ' ' LEU . 27.5 pt -63.01 -34.36 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.616 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.98 -16.87 0.24 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.444 ' N ' ' C ' ' B' ' 9' ' ' ILE . 57.3 mt -79.76 -32.83 41.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 110.821 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -64.58 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.829 -179.433 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.545 ' N ' ' SD ' ' B' ' 12' ' ' MET . 27.9 m -59.48 -20.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.722 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.57 -55.59 22.07 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.8 -39.67 68.73 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.425 ' H ' HG23 ' B' ' 16' ' ' VAL . 13.2 t -46.25 -20.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.597 0.237 . . . . 0.0 110.672 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.66 -21.22 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.786 0.803 . . . . 0.0 110.127 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.38 -24.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.878 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.22 -59.52 4.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.685 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.17 -36.13 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.232 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.18 -55.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.22 0.534 . . . . 0.0 110.047 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.653 ' O ' HG22 ' B' ' 25' ' ' THR . 68.3 mt -46.74 -39.65 4.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.26 -42.2 94.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.298 0.571 . . . . 0.0 110.747 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.8 mt -40.9 -51.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.618 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 22' ' ' ILE . 3.2 t -59.25 -38.14 79.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.76 -39.6 94.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.551 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.9 -26.73 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.571 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.7 mtt -73.65 -34.9 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.24 -21.4 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.716 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.671 ' NZ ' ' HZ3' ' A' ' 30' ' ' LYS . 68.0 mttm -67.32 -42.33 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.29 0.31 57.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.509 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -29.42 24.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.653 0.263 . . . . 0.0 110.763 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.73 -43.6 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.666 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -63.66 -27.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.668 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.2 -20.65 7.06 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.91 -32.86 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.876 0.37 . . . . 0.0 110.673 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.09 -63.53 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.401 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -58.22 -20.78 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.32 -56.38 20.38 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.55 -38.89 72.64 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -46.86 -18.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.8 0.333 . . . . 0.0 110.72 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 20' ' ' THR . 95.4 t -69.93 -23.79 25.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 121.006 0.432 . . . . 0.0 110.213 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.97 -21.78 8.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -56.83 12.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.324 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.7 t -48.88 -41.26 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' A' ' 20' ' ' THR . 95.2 t -63.35 -50.57 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.139 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.6 -47.51 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.16 -43.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.994 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.91 -52.79 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.232 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -62.91 -37.46 87.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.752 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 30' ' ' LYS . 11.5 mt -61.47 -43.18 99.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 78.2 t -54.65 -69.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.231 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.83 -36.1 11.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.804 0.335 . . . . 0.0 110.699 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt -78.63 -20.97 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.807 0.337 . . . . 0.0 110.462 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' LEU . 28.9 ttmt -62.5 -44.3 96.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.191 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -100.98 12.92 36.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.569 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.91 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.07 -29.46 24.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.672 0.273 . . . . 0.0 110.786 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.637 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -63.72 -27.25 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.673 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.4 -20.49 7.3 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.6 mt -77.08 -32.66 56.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.0 110.639 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' B' ' 12' ' ' MET . 0.4 OUTLIER -64.25 -63.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.312 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.41 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.8 m -58.21 -20.81 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.37 -56.33 20.55 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.49 -38.99 72.29 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -46.88 -18.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.655 -0.321 . . . . 0.0 110.654 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 20' ' ' THR . 95.4 t -70.01 -23.74 25.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.016 0.436 . . . . 0.0 110.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.91 -21.85 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.208 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.92 11.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.7 t -48.73 -41.3 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.741 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' B' ' 20' ' ' THR . 92.5 t -63.34 -50.49 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.135 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.67 -47.44 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.28 -43.53 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.923 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.96 -52.64 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.28 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.404 ' H ' HG22 ' B' ' 25' ' ' THR . 1.7 t -63.06 -37.38 86.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.705 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' B' ' 30' ' ' LYS . 11.4 mt -61.59 -43.25 99.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.243 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LYS . 76.9 t -54.5 -69.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.239 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.85 -35.94 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.645 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.75 -21.13 48.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.847 0.356 . . . . 0.0 110.45 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' B' ' 26' ' ' LEU . 28.9 ttmt -62.4 -44.12 97.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -101.28 12.95 36.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.462 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.55 -22.43 69.69 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.52 -28.63 28.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.47 -44.09 87.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.937 0.399 . . . . 0.0 110.684 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 pt -59.71 -36.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.44 -22.91 4.05 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -77.84 -34.36 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.3 ttt -62.91 -63.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.605 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.08 -21.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.393 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.24 -56.21 21.57 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -55.03 -39.46 69.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 t -45.92 -16.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.712 0.291 . . . . 0.0 110.855 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 20' ' ' THR . 88.1 t -70.65 -23.23 24.0 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.24 -21.72 6.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.151 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.0 -57.44 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.265 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.9 t -47.93 -40.96 23.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' N ' ' CG2' ' A' ' 20' ' ' THR . 96.2 t -64.96 -51.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -51.39 -47.99 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.508 HG22 HG22 ' B' ' 23' ' ' VAL . 76.4 t -62.86 -45.51 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.424 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.93 -55.28 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.822 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.25 -39.2 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.969 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.08 -47.91 83.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.223 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.4 t -50.41 -64.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.989 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.7 mtt -45.3 -37.76 5.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.624 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.42 -32.28 66.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' VAL . 47.9 mttp -66.45 -42.85 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.908 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.48 0.11 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.5 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.31 -22.68 69.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.14 -28.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.694 0.283 . . . . 0.0 110.772 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.46 -44.02 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.644 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 12' ' ' MET . 16.7 pt -59.73 -36.92 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.3 -22.77 3.73 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -78.15 -33.68 50.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.559 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 9' ' ' ILE . 11.6 ttt -63.46 -63.54 1.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -59.14 -21.49 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.05 22.7 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.03 -39.48 69.46 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.7 t -45.95 -16.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.506 ' O ' HG22 ' B' ' 20' ' ' THR . 83.9 t -70.58 -23.17 24.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -54.34 -21.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.255 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -57.33 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.358 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -48.1 -41.05 25.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.426 ' N ' ' CG2' ' B' ' 20' ' ' THR . 97.0 t -64.69 -51.47 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.146 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.43 -47.86 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.508 HG22 HG22 ' A' ' 23' ' ' VAL . 74.2 t -63.07 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.503 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.8 -55.31 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.1 t -64.3 -39.18 93.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.948 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.11 -47.91 83.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.312 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 30' ' ' LYS . 63.9 t -50.5 -64.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.958 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.6 mtt -45.22 -37.82 4.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.36 -32.29 66.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 0.0 110.967 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' B' ' 27' ' ' VAL . 47.9 mttp -66.35 -42.63 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.963 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.73 0.23 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.635 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.37 -33.29 80.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.38 83.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.699 0.285 . . . . 0.0 110.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.5 -42.91 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 110.692 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 35.0 mm -61.78 -43.33 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.39 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.66 -20.02 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.4 mt -76.88 -36.04 57.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.906 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' ILE . 26.7 ttt -59.72 -64.0 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.739 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.92 -20.76 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -64.45 -61.43 5.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.76 -38.81 74.55 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' MET . 92.0 t -45.56 -19.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.347 . . . . 0.0 110.607 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 14' ' ' GLY . 84.2 t -62.14 -18.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.601 0.715 . . . . 0.0 110.18 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.17 -31.28 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.2 -60.77 3.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.905 0.383 . . . . 0.0 111.34 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -52.61 -38.8 60.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.303 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.8 -51.06 77.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.31 -44.28 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.32 -42.45 93.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.021 0.439 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.12 -50.72 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.418 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.32 -35.84 82.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.68 -39.35 91.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.38 -22.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmm -76.43 -37.17 57.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.1 -16.9 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.474 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.75 -41.89 97.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.88 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -91.74 6.45 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.609 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.697 -179.654 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.45 82.72 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.59 82.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.69 0.281 . . . . 0.0 110.609 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.44 -42.85 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 11' ' ' LEU . 35.2 mm -61.67 -43.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.78 -19.85 0.07 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.8 mt -77.02 -36.16 56.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.964 0.411 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.1 ttt -59.36 -63.89 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.625 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.39 -20.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.533 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.462 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -64.51 -61.42 5.98 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -55.93 -38.75 76.07 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 12' ' ' MET . 83.4 t -45.59 -19.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.977 0.417 . . . . 0.0 110.644 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 14' ' ' GLY . 88.3 t -62.14 -18.69 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.562 0.696 . . . . 0.0 110.123 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 tt -63.35 -31.05 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.01 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.315 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -52.59 -38.75 60.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.91 -50.9 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.075 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.3 -44.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.32 -42.46 93.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.964 0.411 . . . . 0.0 110.577 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.11 -50.73 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.459 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.42 HG22 ' H ' ' B' ' 25' ' ' THR . 2.1 t -64.42 -35.9 82.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.968 0.413 . . . . 0.0 110.51 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.48 -39.58 91.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.031 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.38 -22.13 26.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.559 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmm -76.27 -37.16 57.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.06 -17.25 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.523 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.58 -41.85 98.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.872 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -91.87 6.32 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.862 -1.065 . . . . 0.0 110.599 -179.73 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.92 -32.64 80.58 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.53 79.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.656 0.265 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.87 -42.68 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 36.5 mm -57.36 -45.11 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.482 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.29 -19.01 0.12 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.3 mt -84.3 -36.36 22.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.595 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.09 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 -179.388 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -61.18 -21.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.489 . . . . 0.0 110.699 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -64.42 -54.06 31.81 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.536 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -56.53 -38.64 81.77 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 16' ' ' VAL . 21.3 t -44.7 -16.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 O-C-N 122.767 -0.255 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 14' ' ' GLY . 8.2 p -67.99 -19.29 24.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-O 121.917 0.865 . . . . 0.0 110.362 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.86 -23.74 30.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -59.2 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.059 0.457 . . . . 0.0 111.918 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.4 t -53.58 -36.79 62.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -54.4 31.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.86 -41.63 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -69.28 -44.16 80.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -49.55 -53.33 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.144 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -60.58 -43.32 97.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.46 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.32 -39.67 73.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.144 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.89 -24.68 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.601 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.1 mmm -74.1 -39.68 63.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.02 -21.06 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.627 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HE3' ' HZ1' ' B' ' 30' ' ' LYS . 67.0 mttm -70.34 -42.2 72.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.979 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -92.89 -3.97 53.66 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 117.558 -1.21 . . . . 0.0 110.701 -179.539 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -33.47 81.19 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.04 77.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.732 0.301 . . . . 0.0 110.695 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.19 -42.9 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' B' ' 12' ' ' MET . 38.1 mm -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.81 -18.9 0.14 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.3 mt -84.12 -35.8 23.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 110.594 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -61.95 -64.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.687 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.2 m -61.13 -21.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.053 0.454 . . . . 0.0 110.669 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.505 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.83 -53.91 31.53 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.51 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -56.43 -38.5 80.05 Favored Glycine 0 C--O 1.225 -0.447 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -44.94 -16.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.626 0.251 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.505 HG12 ' O ' ' B' ' 14' ' ' GLY . 7.3 p -67.73 -19.2 24.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.832 0.825 . . . . 0.0 110.439 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.74 -23.88 30.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -59.22 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.897 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -53.84 -36.87 63.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.98 -54.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.031 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.59 -41.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.17 -44.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.844 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.7 -53.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.174 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -60.54 -42.97 97.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 110.396 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.56 -39.71 73.93 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.055 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.63 -24.84 35.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.509 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.2 mmm -73.95 -39.6 63.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 0.0 110.646 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -70.33 -20.99 62.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.676 ' HZ1' ' HE3' ' A' ' 30' ' ' LYS . 67.1 mttm -70.36 -41.7 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -93.62 -4.02 51.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.702 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 117.577 -1.201 . . . . 0.0 110.741 -179.526 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.13 74.05 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.25 -32.74 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.635 0.255 . . . . 0.0 110.768 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.17 -43.72 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.784 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' MET . 23.0 pt -58.97 -33.12 49.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.3 0.52 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.9 mt -80.86 -31.19 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ILE . 25.3 ttt -64.57 -63.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -58.97 -20.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.55 -56.88 14.66 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.65 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -53.59 -39.24 60.16 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -47.0 -19.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 O-C-N 122.621 -0.341 . . . . 0.0 110.465 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 20' ' ' THR . 94.1 t -69.61 -21.86 24.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 122.153 0.978 . . . . 0.0 110.12 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 18' ' ' ILE . 38.0 mm -59.71 -18.81 15.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.091 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -56.64 5.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -50.42 -45.07 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.582 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 22' ' ' ILE . 2.7 p -60.49 -47.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.437 ' N ' HG13 ' A' ' 21' ' ' VAL . 65.4 mt -55.01 -43.98 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.44 -40.8 85.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.059 0.457 . . . . 0.0 110.431 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.32 -50.12 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.089 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -63.8 -36.29 83.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.007 0.432 . . . . 0.0 110.006 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.81 -39.59 94.6 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.401 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.38 -22.6 28.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -33.36 42.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.633 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.39 -19.74 59.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.95 -41.59 97.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.635 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.17 4.63 52.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.513 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 tttm . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.85 -26.93 73.79 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.32 -31.97 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.743 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.8 -43.6 93.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.669 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' B' ' 12' ' ' MET . 23.2 pt -59.25 -33.55 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.648 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.76 -19.13 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.6 mt -80.86 -31.47 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.689 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.465 ' N ' ' O ' ' B' ' 9' ' ' ILE . 24.5 ttt -64.47 -63.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.9 m -58.96 -19.89 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.5 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.74 -56.91 14.05 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -53.53 -39.43 60.21 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.403 ' H ' HG23 ' B' ' 16' ' ' VAL . 10.6 t -47.0 -19.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.63 -0.336 . . . . 0.0 110.534 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 15' ' ' GLY . 97.3 t -69.66 -21.89 24.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-O 122.145 0.974 . . . . 0.0 110.1 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' B' ' 18' ' ' ILE . 37.9 mm -59.55 -18.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.18 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.88 -56.47 5.15 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER -50.41 -44.36 55.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.536 -179.185 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.438 HG13 ' N ' ' B' ' 22' ' ' ILE . 2.8 p -60.99 -47.37 93.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.438 ' N ' HG13 ' B' ' 21' ' ' VAL . 64.2 mt -55.09 -44.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.21 -40.44 85.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.0 0.429 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 mm -52.73 -50.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.92 -35.99 82.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.093 0.473 . . . . 0.0 110.037 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.99 -39.85 95.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.408 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.27 -22.79 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.0 mtt -78.99 -33.43 45.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -75.48 -20.27 58.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.39 -41.51 98.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.591 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' H ' ' B' ' 31' ' ' LYS . 0.5 OUTLIER -92.18 4.83 52.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.676 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.504 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.0 pttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.76 -25.91 68.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.12 -32.44 24.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.469 0.176 . . . . 0.0 111.297 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.72 -43.34 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' MET . 34.2 pt -62.21 -35.79 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.076 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.52 -19.71 0.3 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 9' ' ' ILE . 59.4 mt -73.37 -36.36 66.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.095 0.474 . . . . 0.0 110.431 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -59.71 -63.26 1.37 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.538 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' N ' ' SD ' ' A' ' 12' ' ' MET . 33.8 m -62.17 -20.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -63.83 -61.27 6.32 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.02 -38.55 86.16 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.352 -0.451 . . . . 0.0 112.132 -178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.8 t -46.4 -19.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 15' ' ' GLY . 76.4 t -60.97 -19.2 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.751 0.786 . . . . 0.0 109.692 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 18' ' ' ILE . 10.4 tp -62.3 -34.0 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.54 -59.82 4.18 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.91 -37.61 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.49 -49.2 85.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.47 -45.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.366 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.7 -41.94 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 110.838 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.7 mt -53.83 -48.76 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.308 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -65.72 -36.59 84.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.698 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.09 -39.17 88.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.254 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.73 -22.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.715 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -73.96 -36.69 64.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.081 0.467 . . . . 0.0 109.95 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.9 mm? -76.82 -18.99 58.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.71 -41.69 95.83 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.411 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -92.5 4.67 53.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.1 -0.953 . . . . 0.0 110.338 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.84 -25.9 68.37 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.15 -32.42 24.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.231 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.76 -43.4 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' B' ' 12' ' ' MET . 33.7 pt -62.11 -35.92 71.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.48 -19.69 0.29 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' B' ' 9' ' ' ILE . 59.2 mt -73.42 -36.32 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.043 0.449 . . . . 0.0 110.389 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.4 OUTLIER -59.75 -63.22 1.38 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.504 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.438 ' N ' ' SD ' ' B' ' 12' ' ' MET . 33.7 m -62.17 -20.77 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.419 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -63.73 -61.4 6.23 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.01 -38.53 86.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.057 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -46.39 -19.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.806 0.336 . . . . 0.0 111.052 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 14' ' ' GLY . 74.1 t -60.91 -19.18 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 109.675 179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 tp -62.34 -33.93 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.941 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -59.76 4.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.99 -37.55 69.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.48 -49.23 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.7 mt -56.43 -45.85 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.444 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.83 -41.77 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.584 0.23 . . . . 0.0 110.846 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mt -54.02 -48.65 63.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.27 -178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 25' ' ' THR . 1.7 t -65.78 -36.59 83.97 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.654 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.11 -39.09 88.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.86 -22.8 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.673 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -74.06 -36.78 64.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.862 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 29' ' ' LEU . 3.8 mm? -76.72 -18.92 58.22 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.81 -41.71 95.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.366 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -92.49 4.65 53.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.313 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.9 96.88 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.79 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.501 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.84 -55.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.671 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 12' ' ' MET . 37.2 mm -63.37 -48.9 85.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.872 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.43 -53.87 4.11 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.29 -21.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.618 0.246 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 22.3 ttt -41.82 -57.12 2.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.362 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' VAL . 10.8 m -55.98 -41.61 68.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.702 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 13' ' ' VAL . . . -30.54 -51.45 0.21 Allowed Glycine 0 CA--C 1.527 0.805 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.496 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.12 -39.33 80.18 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.028 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 34.0 t -47.26 -17.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 122.6 -0.353 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 20' ' ' THR . 94.9 t -69.18 -22.42 25.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.361 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.02 -19.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.129 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -55.08 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.6 t -51.41 -39.62 57.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.082 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.72 -50.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 109.714 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.72 -45.77 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.68 -42.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.76 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.81 -53.18 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.978 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.87 -38.87 89.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.29 -39.79 88.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.5 t -62.24 -25.19 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.704 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.58 -39.81 57.54 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.857 0.36 . . . . 0.0 111.248 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 29' ' ' LEU . 9.8 mp -81.84 -18.6 43.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.684 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HZ3' ' HG2' ' B' ' 30' ' ' LYS . 13.0 mtpp -76.31 -23.07 54.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.003 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.5 2.1 44.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.919 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.388 179.722 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.46 -38.43 96.34 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.16 -55.01 39.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.84 -55.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.622 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' B' ' 12' ' ' MET . 37.7 mm -63.31 -48.82 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.907 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.35 -53.85 4.05 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -46.26 -21.93 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.713 0.292 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' B' ' 9' ' ' ILE . 21.6 ttt -41.83 -57.11 2.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.416 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' VAL . 10.8 m -56.11 -41.42 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.813 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.454 ' N ' HG23 ' B' ' 13' ' ' VAL . . . -30.56 -51.18 0.21 Allowed Glycine 0 CA--C 1.527 0.838 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.437 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.3 -39.58 82.73 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.137 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 13' ' ' VAL . 36.3 t -47.02 -17.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.562 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.478 ' O ' HG22 ' B' ' 20' ' ' THR . 94.7 t -69.21 -22.51 25.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-O 121.315 0.579 . . . . 0.0 110.345 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.08 -20.03 5.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.012 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -55.26 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.238 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.478 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.6 t -51.21 -39.45 56.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.66 -50.24 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 109.692 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.5 mt -53.78 -45.71 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.7 -42.64 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.816 0.341 . . . . 0.0 110.75 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.96 -53.1 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.04 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.85 -38.93 90.04 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.24 -39.82 88.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.26 -24.96 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.65 -39.65 57.34 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.486 HD12 ' N ' ' B' ' 29' ' ' LEU . 9.8 mp -82.11 -18.27 43.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.68 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.529 ' HG2' ' HZ3' ' A' ' 30' ' ' LYS . 13.0 mtpp -76.66 -22.64 53.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.92 2.2 43.47 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.943 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.466 179.743 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.47 93.31 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.46 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.682 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.96 -42.54 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.96 -43.13 98.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.69 2.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -76.74 -30.18 56.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.264 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.37 -63.65 1.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.04 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.51 -19.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -62.47 -57.2 17.6 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.37 -36.38 76.22 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.725 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.5 t -46.91 -17.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 122.542 -0.387 . . . . 0.0 111.02 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 14' ' ' GLY . 8.6 p -67.87 -24.43 30.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-O 121.22 0.533 . . . . 0.0 110.641 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.75 -22.61 6.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.84 -55.98 21.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.141 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.6 t -49.78 -39.91 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.92 -50.36 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.9 mt -55.31 -50.06 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.86 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.535 HG22 HG22 ' B' ' 23' ' ' VAL . 90.6 t -63.42 -44.19 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.489 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.9 mt -57.63 -51.34 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.768 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -71.06 -36.72 72.41 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.772 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.7 mt -51.37 -49.11 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.821 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -47.7 -56.21 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.569 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.33 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.61 -23.37 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.524 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 26' ' ' LEU . 56.7 tttt -62.33 -40.54 96.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.6 15.14 26.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.472 179.166 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.05 -36.33 93.12 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.23 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.11 -42.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.499 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.87 -43.09 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.731 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.64 -18.67 2.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -76.9 -30.02 56.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.855 0.36 . . . . 0.0 110.256 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.32 -63.62 1.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.59 -19.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.206 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.53 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -62.37 -57.28 17.41 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -57.47 -36.38 76.94 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.3 t -46.85 -17.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 122.582 -0.363 . . . . 0.0 110.997 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' B' ' 14' ' ' GLY . 8.8 p -67.96 -24.31 30.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-O 121.284 0.564 . . . . 0.0 110.687 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.88 -22.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.007 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.88 -55.95 21.65 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.499 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.6 t -49.85 -39.93 40.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.8 -50.35 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.853 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.42 -49.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 23' ' ' VAL . 92.0 t -63.52 -44.26 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.475 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.62 -51.28 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.721 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -71.18 -36.61 72.02 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.697 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 30' ' ' LYS . 12.7 mt -51.37 -49.05 62.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.844 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -47.72 -56.27 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.457 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.36 -40.24 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.179 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.57 -23.31 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.513 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' B' ' 26' ' ' LEU . 56.2 tttt -62.24 -40.72 97.08 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.41 14.98 26.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.361 179.187 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.01 98.16 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.49 64.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.426 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -40.92 -53.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.87 -47.01 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.006 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -39.08 -49.92 2.72 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 11' ' ' LEU . 58.0 mt -41.94 -22.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' GLY . 24.5 ttt -49.96 -62.5 1.53 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.979 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 10' ' ' GLY . 6.5 m -62.56 -18.74 21.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.342 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -64.12 -55.43 23.98 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.628 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.21 -33.09 51.67 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.9 t -49.5 -17.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.704 0.288 . . . . 0.0 110.658 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 20' ' ' THR . 8.1 p -67.47 -26.38 35.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-O 121.09 0.471 . . . . 0.0 110.611 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mm -53.76 -19.08 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.66 -54.71 23.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.193 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -49.83 -41.5 45.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' THR . 81.1 t -63.36 -50.45 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -54.81 -46.67 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG22 HG22 ' B' ' 23' ' ' VAL . 94.2 t -65.19 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.705 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.87 -51.31 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.07 -37.7 88.41 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.842 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.73 -43.16 98.24 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.45 -22.97 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.962 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.9 mmm -80.31 -44.08 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -79.49 -8.67 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.613 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -83.91 -20.53 32.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.147 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -107.71 3.35 24.53 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.733 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.23 98.99 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.37 -52.68 64.19 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -41.07 -53.5 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.468 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.83 -47.4 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.009 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.496 ' O ' HG22 ' B' ' 13' ' ' VAL . . . -38.8 -49.73 2.53 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.07 -22.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.556 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.466 ' N ' ' O ' ' B' ' 10' ' ' GLY . 24.8 ttt -50.19 -62.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.895 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 10' ' ' GLY . 6.4 m -62.6 -18.76 21.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.315 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.444 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.05 -55.24 25.31 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -54.49 -33.28 53.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -49.3 -17.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.675 0.274 . . . . 0.0 110.66 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.502 ' O ' HG22 ' B' ' 20' ' ' THR . 8.3 p -67.43 -26.26 35.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-O 121.142 0.496 . . . . 0.0 110.687 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.7 mm -53.82 -19.3 2.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.109 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.47 -54.8 23.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.502 HG22 ' O ' ' B' ' 17' ' ' VAL . 2.1 t -49.78 -41.54 44.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 20' ' ' THR . 86.2 t -63.21 -50.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.082 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 80.5 mt -54.83 -46.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 23' ' ' VAL . 93.6 t -65.08 -41.98 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.96 -51.23 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.993 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.14 -37.71 88.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.721 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.182 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.42 -23.03 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.881 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 26.5 mmm -80.29 -43.96 20.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.31 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.411 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.2 mm? -79.58 -8.79 59.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.625 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -83.81 -20.73 32.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.147 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -107.48 3.46 25.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.446 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptp . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.09 74.57 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.63 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.664 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -43.61 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.432 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.62 -25.95 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.47 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.74 -22.29 25.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.28 -29.93 57.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -67.06 -63.26 1.1 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.94 -21.23 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -62.62 -59.68 8.92 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -51.65 -40.0 47.22 Favored Glycine 0 C--O 1.224 -0.496 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 t -46.39 -16.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 122.47 -0.429 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 20' ' ' THR . 4.1 p -74.0 -28.03 23.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.8 mm -52.65 -19.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 O-C-N 123.836 0.71 . . . . 0.0 110.103 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.95 -58.25 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 17' ' ' VAL . 3.9 t -46.99 -40.35 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.433 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.444 ' N ' ' CG2' ' A' ' 20' ' ' THR . 94.4 t -67.04 -53.29 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.378 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -45.67 -49.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG22 HG22 ' B' ' 23' ' ' VAL . 58.6 t -63.57 -46.75 94.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.184 0.516 . . . . 0.0 110.395 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.07 -59.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 25' ' ' THR . 1.7 t -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.621 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 33.2 mt -57.93 -51.16 70.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.899 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.53 -60.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 123.328 0.392 . . . . 0.0 110.457 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.5 mtm -54.72 -38.41 67.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.596 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.66 -21.77 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.19 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . 39.4 tttm -63.96 -41.19 97.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -104.16 18.15 22.67 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.355 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.516 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.4 tptp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 -23.65 74.09 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.25 -34.48 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.705 0.288 . . . . 0.0 110.72 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.36 -43.81 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 pt -64.61 -26.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.99 -22.17 19.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.5 mt -76.06 -30.55 58.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.5 ttt -66.67 -63.28 1.1 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 m -56.69 -21.34 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.507 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -62.75 -59.58 8.99 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -51.49 -40.09 46.18 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 t -46.5 -16.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.969 0.414 . . . . 0.0 110.714 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.507 HG12 ' O ' ' B' ' 14' ' ' GLY . 4.2 p -73.36 -28.05 24.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.27 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' B' ' 18' ' ' ILE . 45.3 mm -52.64 -19.55 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.816 0.697 . . . . 0.0 110.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.3 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 17' ' ' VAL . 3.7 t -46.87 -41.02 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 20' ' ' THR . 95.7 t -66.25 -53.36 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.268 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -45.83 -49.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.938 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 23' ' ' VAL . 59.8 t -63.37 -46.52 95.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.119 0.485 . . . . 0.0 110.42 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.14 -59.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -60.41 -41.43 93.88 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' B' ' 30' ' ' LYS . 31.2 mt -58.2 -51.18 70.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.888 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -47.44 -60.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.233 0.333 . . . . 0.0 110.349 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 78.6 mtm -54.98 -38.15 67.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.88 -21.96 43.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' B' ' 26' ' ' LEU . 38.9 tttm -63.71 -41.36 98.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.254 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -103.86 18.08 22.73 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.579 -179.865 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -34.5 90.11 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.67 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.721 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.4 mt -70.23 -44.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.828 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.48 -43.05 98.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.432 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 12' ' ' MET . . . -37.02 -47.65 1.35 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 14' ' ' GLY . 62.8 mt -44.23 -21.59 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.833 0.349 . . . . 0.0 110.771 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' GLY . 25.4 ttt -42.88 -51.4 5.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.316 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -67.93 -21.5 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.603 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.96 -51.04 61.08 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.62 -32.53 69.43 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.17 -16.69 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.863 0.363 . . . . 0.0 110.659 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' ALA . 57.5 t -64.72 -53.57 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.14 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG22 HG13 ' A' ' 22' ' ' ILE . 96.3 mt -41.82 -19.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.77 0.319 . . . . 0.0 110.811 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.64 -55.34 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 21' ' ' VAL . 6.4 t -58.32 -41.96 85.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.139 0.495 . . . . 0.0 110.485 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 20' ' ' THR . 79.5 t -59.62 -49.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.01 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.449 HG13 HG22 ' A' ' 18' ' ' ILE . 79.0 mt -54.08 -33.54 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.921 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.516 HG22 HG22 ' B' ' 23' ' ' VAL . 58.4 t -77.31 -48.52 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.1 mt -51.91 -48.61 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 26' ' ' LEU . 8.2 t -66.62 -45.66 78.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' N ' HG23 ' A' ' 25' ' ' THR . 30.2 mt -58.98 -39.25 81.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.075 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG22 ' NZ ' ' B' ' 30' ' ' LYS . 32.5 t -56.33 -49.19 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.064 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LYS . 67.4 mtt -58.69 -32.08 68.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.765 0.317 . . . . 0.0 110.601 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.7 mt -79.7 -14.68 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 95.4 mttt -86.64 -9.92 54.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.674 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.62 18.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' MET . 64.8 tttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.487 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.75 90.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.26 97.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.625 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.82 -44.13 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.766 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.32 -42.85 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.236 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -37.02 -47.92 1.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' GLY . 61.1 mt -44.09 -21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.702 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 10' ' ' GLY . 25.2 ttt -42.84 -51.24 5.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.11 -21.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.06 0.457 . . . . 0.0 110.585 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.62 -50.97 61.78 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.59 -32.45 69.15 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -66.59 -16.88 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' ALA . 58.5 t -64.35 -53.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.158 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.464 HG22 HG13 ' B' ' 22' ' ' ILE . 96.1 mt -42.14 -19.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.726 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.94 -55.08 22.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.19 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.468 HG23 ' N ' ' B' ' 21' ' ' VAL . 6.1 t -58.23 -41.91 85.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.167 0.508 . . . . 0.0 110.397 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.468 ' N ' HG23 ' B' ' 20' ' ' THR . 75.9 t -59.89 -49.57 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.464 HG13 HG22 ' B' ' 18' ' ' ILE . 79.0 mt -54.08 -32.95 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.907 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 23' ' ' VAL . 59.6 t -77.58 -48.76 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.923 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.82 -48.71 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.856 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.539 HG23 ' N ' ' B' ' 26' ' ' LEU . 7.9 t -66.29 -45.71 79.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.597 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.539 ' N ' HG23 ' B' ' 25' ' ' THR . 29.4 mt -59.14 -39.27 81.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.179 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.57 HG22 ' NZ ' ' A' ' 30' ' ' LYS . 32.6 t -56.24 -49.38 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.979 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -58.55 -31.91 68.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.661 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.92 -14.85 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.648 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 95.3 mttt -86.56 -9.67 55.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.628 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.02 19.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.525 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.22 -33.42 75.16 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.02 82.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.615 0.245 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.54 -43.68 83.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.943 0.401 . . . . 0.0 110.725 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.64 -42.73 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.151 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.19 -52.77 1.65 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' GLY . 59.0 mt -45.08 -23.53 0.16 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.549 0.214 . . . . 0.0 111.238 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.25 -53.5 6.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.54 -21.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.527 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.2 -50.79 63.78 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.08 -33.84 81.19 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.94 -17.08 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.926 0.393 . . . . 0.0 110.716 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' ALA . 98.8 t -63.09 -52.21 61.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.396 -0.522 . . . . 0.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.408 HG22 HG13 ' A' ' 22' ' ' ILE . 96.3 mt -41.17 -20.78 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.115 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.842 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.21 -55.72 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 5.8 t -57.91 -41.83 83.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 20' ' ' THR . 72.2 t -59.99 -48.7 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.745 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG13 HG22 ' A' ' 18' ' ' ILE . 84.9 mt -54.7 -36.99 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.723 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 27' ' ' VAL . 59.7 t -73.41 -48.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.0 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -52.48 -48.46 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.355 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 26' ' ' LEU . 7.1 t -67.55 -44.0 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.498 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' N ' HG23 ' A' ' 25' ' ' THR . 32.2 mt -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.648 HG22 ' NZ ' ' B' ' 30' ' ' LYS . 37.8 t -54.26 -55.23 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.951 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.9 mtt -52.82 -30.86 35.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.752 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.8 -17.15 48.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.582 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.667 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 96.5 mttt -86.05 -13.49 47.23 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.771 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.59 15.13 2.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.523 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.57 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.21 -33.44 75.2 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.05 82.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.645 0.26 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.55 -43.59 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.711 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.64 -42.74 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.141 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.28 -52.6 1.7 Allowed Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 14' ' ' GLY . 59.7 mt -45.24 -23.44 0.18 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.617 0.246 . . . . 0.0 111.345 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.49 -53.27 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.119 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.83 -21.76 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.227 0.537 . . . . 0.0 110.275 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.14 -50.92 62.44 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -33.78 80.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.14 -17.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' B' ' 19' ' ' ALA . 94.9 t -63.07 -52.23 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.769 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.42 HG22 HG13 ' B' ' 22' ' ' ILE . 96.3 mt -41.12 -20.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.772 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.13 -55.73 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.906 0.384 . . . . 0.0 110.033 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.438 HG23 ' N ' ' B' ' 21' ' ' VAL . 5.8 t -57.87 -41.85 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.582 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.438 ' N ' HG23 ' B' ' 20' ' ' THR . 69.3 t -59.98 -48.81 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.846 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.42 HG13 HG22 ' B' ' 18' ' ' ILE . 85.0 mt -54.54 -36.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.673 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.486 ' O ' HG23 ' B' ' 27' ' ' VAL . 61.8 t -73.5 -48.33 41.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.05 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -52.49 -48.35 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.428 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 26' ' ' LEU . 6.9 t -67.54 -44.03 79.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.522 ' N ' HG23 ' B' ' 25' ' ' THR . 32.9 mt -60.47 -41.4 94.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.587 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.641 HG22 ' NZ ' ' A' ' 30' ' ' LYS . 37.7 t -54.2 -55.23 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.053 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -52.72 -30.98 35.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.732 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.72 -17.33 48.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.667 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 96.5 mttt -85.8 -13.64 47.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.27 14.83 2.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.556 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.73 -30.95 73.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.79 90.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 110.666 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.5 -43.12 91.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -62.29 -42.84 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.341 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.29 -20.29 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ILE . 54.4 mt -77.87 -34.37 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.812 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.3 ttt -61.17 -63.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.676 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.62 -20.87 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.02 -56.6 19.82 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.75 -39.16 75.73 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -47.24 -18.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.596 -0.355 . . . . 0.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' THR . 99.1 t -70.55 -23.69 24.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 CA-C-O 121.261 0.553 . . . . 0.0 110.24 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.82 -21.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -56.84 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.371 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -48.97 -41.11 33.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.784 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' THR . 70.4 t -63.89 -50.64 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.085 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.5 -47.35 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 HG22 ' B' ' 23' ' ' VAL . 74.8 t -63.11 -44.18 99.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.498 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.16 -52.53 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.097 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -67.96 -36.9 80.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.189 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.269 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.0 t -48.94 -60.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.955 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -54.36 -37.86 65.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.412 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.64 -32.67 71.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -64.49 -44.14 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -101.07 4.64 42.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.605 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.43 76.51 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.61 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.7 0.286 . . . . 0.0 110.721 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.38 -43.22 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.644 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.2 mm -62.35 -42.8 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.354 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.21 -20.27 0.28 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' B' ' 9' ' ' ILE . 56.0 mt -77.72 -34.88 52.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.906 0.384 . . . . 0.0 110.798 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.4 ttt -60.94 -63.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.2 m -58.46 -20.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.97 -56.44 20.84 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.69 -39.35 75.75 Favored Glycine 0 N--CA 1.464 0.555 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.406 ' H ' HG23 ' B' ' 16' ' ' VAL . 20.7 t -47.24 -18.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 122.626 -0.338 . . . . 0.0 110.734 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.5 ' O ' HG22 ' B' ' 20' ' ' THR . 98.0 t -70.49 -23.73 24.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 121.307 0.575 . . . . 0.0 110.363 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.83 -21.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.207 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.36 -56.97 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.475 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.5 HG22 ' O ' ' B' ' 17' ' ' VAL . 2.0 t -49.04 -41.06 33.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.424 ' N ' ' CG2' ' B' ' 20' ' ' THR . 71.0 t -63.84 -50.4 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.147 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.73 -47.49 62.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 23' ' ' VAL . 78.3 t -63.01 -44.23 99.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.457 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.2 -52.31 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -68.03 -36.78 80.5 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.1 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.36 -48.38 82.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.293 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.98 -59.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -54.36 -37.8 65.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.77 -32.61 71.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.761 0.315 . . . . 0.0 111.199 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -64.54 -44.18 91.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.899 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -100.95 4.52 42.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.514 179.778 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 9' ' ' ILE . 66.0 tttm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.55 -32.71 85.09 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.58 -27.52 19.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.51 -43.87 83.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 120.945 0.403 . . . . 0.0 110.905 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 5' ' ' LYS . 2.2 pp -58.59 -41.15 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.273 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -36.99 -57.78 1.27 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 60.6 mt -40.92 -25.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.706 0.289 . . . . 0.0 110.589 -178.743 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLY . 28.5 ttt -52.65 -64.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.879 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 10' ' ' GLY . 15.0 m -63.14 -19.01 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -56.22 19.4 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.595 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.32 61.94 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.17 -18.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 110.788 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.2 -20.21 26.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 CA-C-O 121.477 0.656 . . . . 0.0 109.771 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.33 -22.4 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.794 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.57 -58.15 7.15 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -38.35 62.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.59 -50.04 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.885 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.25 -43.12 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.95 -41.03 86.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.845 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.4 -49.71 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.767 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -64.67 -37.6 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.466 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.09 -38.95 88.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.109 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.34 -22.48 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.645 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.7 mtt -76.4 -35.67 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.0 mm? -76.1 -16.95 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.45 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.49 -41.72 98.56 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.582 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -95.17 6.17 49.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.981 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.714 179.975 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.431 ' O ' HG23 ' B' ' 9' ' ' ILE . 66.0 tttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.36 -32.59 84.67 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.41 -27.67 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.633 0.254 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.57 -43.96 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.431 HG23 ' O ' ' B' ' 5' ' ' LYS . 2.2 pp -58.43 -40.95 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.181 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.474 ' O ' HG22 ' B' ' 13' ' ' VAL . . . -37.17 -57.8 1.33 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 mt -40.95 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.587 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' MET . . . . . 0.448 ' N ' ' O ' ' B' ' 10' ' ' GLY . 28.4 ttt -53.4 -64.17 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.852 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 10' ' ' GLY . 15.1 m -63.09 -19.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.579 179.624 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -63.92 -56.11 20.55 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.581 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.15 -34.79 62.98 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -48.72 -18.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.769 0.319 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 14' ' ' GLY . 92.7 t -66.23 -20.16 26.79 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 121.532 0.682 . . . . 0.0 109.801 179.345 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.67 -22.3 29.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.745 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.09 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.903 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.44 62.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.615 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.42 -49.92 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.888 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.56 -43.16 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.82 -41.1 87.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.742 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mm -52.44 -49.66 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.426 ' H ' HG22 ' B' ' 25' ' ' THR . 1.5 t -64.79 -37.39 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.413 -179.209 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.22 -39.0 88.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.37 -22.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.657 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.27 -35.6 58.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.493 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.0 mm? -76.28 -17.07 59.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.32 -41.49 98.91 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.579 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 32' ' ' LYS . 22.8 pttp -95.4 6.21 49.59 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 31' ' ' LYS . 6.7 ptmm? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.957 -1.02 . . . . 0.0 111.731 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 108.333 -0.988 . . . . 999.99 108.333 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.47 -32.39 81.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.415 -1.074 . . . . 113.42 110.415 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.13 81.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.703 -0.249 . . . . 70.04 111.459 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.08 -43.89 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.338 . . . . 185.23 110.398 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.4 mt -63.09 -39.29 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.186 -0.461 . . . . 626.12 110.936 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -17.13 0.13 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.062 -0.815 . . . . 97.27 111.062 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 57.8 mt -77.95 -34.18 51.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 115.07 110.689 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' ILE . 22.8 ttt -60.19 -63.66 1.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.003 -0.544 . . . . 137.76 110.718 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.49 -20.58 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.22 -0.446 . . . . 36.99 110.299 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -55.78 25.51 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.185 -0.766 . . . . 19.98 111.185 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.56 -36.82 79.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.627 -0.589 . . . . 11.76 111.627 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.05 -18.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.761 -0.258 . . . . 13.76 110.747 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 20' ' ' THR . 73.8 t -67.41 -22.28 28.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.392 0.615 . . . . 96.87 109.825 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -24.05 29.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.389 -0.823 . . . . 181.43 110.08 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.66 -58.71 7.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.428 -0.351 . . . . 4.78 110.993 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.2 t -52.56 -38.29 59.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 37.5 111.069 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.39 -50.7 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.645 -0.502 . . . . 46.75 109.645 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -56.1 -44.59 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.077 -0.712 . . . . 9.91 109.077 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 27' ' ' VAL . 98.2 t -65.93 -43.63 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.388 . . . . 18.24 111.165 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.7 mt -52.13 -49.22 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 121.018 -0.273 . . . . 125.6 111.52 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.74 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.259 -0.576 . . . . 39.62 110.14 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -42.17 98.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.793 -0.639 . . . . 76.83 109.663 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' VAL . 91.0 t -55.62 -23.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.654 0.264 . . . . 115.63 110.826 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtt -80.05 -34.86 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.981 0.42 . . . . 125.49 110.673 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.3 mt -78.49 -19.8 52.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 340.21 110.9 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -61.89 -41.49 97.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.759 -0.377 . . . . 572.02 110.983 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -95.75 11.58 33.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.851 -0.34 . . . . 600.75 110.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.053 -0.975 . . . . 999.99 110.705 179.168 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.334 -0.987 . . . . 999.99 108.334 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.42 81.62 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.38 -1.088 . . . . 113.38 110.38 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.14 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.683 -0.259 . . . . 68.65 111.487 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.05 -43.88 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.79 0.329 . . . . 186.84 110.376 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' B' ' 12' ' ' MET . 1.4 mt -63.06 -39.38 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.21 -0.45 . . . . 626.07 110.923 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.41 -17.15 0.12 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.004 -0.838 . . . . 97.5 111.004 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' B' ' 9' ' ' ILE . 57.4 mt -77.99 -34.17 51.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 115.59 110.716 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.485 ' N ' ' O ' ' B' ' 9' ' ' ILE . 22.9 ttt -60.11 -63.76 1.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.016 -0.538 . . . . 138.75 110.72 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.41 -20.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 36.63 110.357 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.4 -55.79 25.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.181 -0.768 . . . . 19.96 111.181 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.92 79.73 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.617 -0.593 . . . . 11.95 111.617 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.401 ' H ' HG23 ' B' ' 16' ' ' VAL . 16.8 t -49.08 -18.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.619 0.247 . . . . 13.83 110.747 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.453 ' O ' HG22 ' B' ' 20' ' ' THR . 73.6 t -67.54 -22.15 28.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 CA-C-O 121.356 0.598 . . . . 96.94 109.804 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.21 -24.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.386 -0.824 . . . . 179.5 110.032 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.63 -58.78 7.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.817 0.341 . . . . 4.79 111.005 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.3 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 37.72 111.022 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.38 -50.68 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.667 -0.494 . . . . 45.9 109.667 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -56.05 -44.61 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.082 -0.71 . . . . 9.85 109.082 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.433 ' O ' HG23 ' B' ' 27' ' ' VAL . 98.3 t -66.0 -43.63 92.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.304 -0.407 . . . . 17.83 111.144 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.16 -49.24 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 121.055 -0.258 . . . . 124.61 111.487 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.75 -37.75 88.66 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.207 -0.597 . . . . 39.27 110.129 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.81 -42.16 98.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.845 -0.616 . . . . 74.83 109.689 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 23' ' ' VAL . 90.6 t -55.62 -23.26 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.673 0.273 . . . . 115.25 110.787 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 36.4 mtt -80.12 -34.68 37.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.95 0.405 . . . . 125.65 110.679 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.61 -19.66 52.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 338.6 110.928 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -61.93 -41.55 98.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.815 -0.354 . . . . 565.7 110.945 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -95.73 11.6 32.91 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.865 -0.334 . . . . 597.86 110.468 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.033 -0.984 . . . . 999.99 110.677 179.224 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.27 95.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.54 96.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.688 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.17 -42.86 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' MET . 98.0 mt -61.81 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.69 0.09 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.5 mt -77.37 -36.18 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.809 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.3 ttt -59.53 -63.9 1.14 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.64 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.29 -20.32 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.01 15.35 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.57 -38.02 69.62 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 16' ' ' VAL . 14.2 t -47.11 -19.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.69 0.281 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' GLY . 82.0 t -66.94 -21.25 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-O 121.365 0.603 . . . . 0.0 109.818 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -25.79 38.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.33 -59.23 5.3 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.955 0.407 . . . . 0.0 111.839 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 -37.37 59.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.257 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 24' ' ' ILE . 70.5 t -61.87 -49.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.77 -44.67 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.37 -42.55 93.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.921 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 21' ' ' VAL . 20.9 mt -52.43 -49.64 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.267 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.46 -35.51 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.071 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.56 -23.46 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.699 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.1 mtt -77.31 -34.6 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 110.618 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.49 -17.54 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HZ1' ' NZ ' ' B' ' 30' ' ' LYS . 67.9 mttm -63.85 -42.22 97.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.596 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -96.18 5.1 51.81 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.944 0.402 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.671 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.45 96.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.53 96.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.726 0.298 . . . . 0.0 110.774 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.06 -42.84 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.618 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 12' ' ' MET . 98.2 mt -61.82 -43.26 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.531 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.76 0.09 OUTLIER Glycine 0 CA--C 1.527 0.822 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' B' ' 9' ' ' ILE . 52.4 mt -77.26 -36.3 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.793 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.497 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.4 ttt -59.49 -63.81 1.17 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.702 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.42 -20.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.75 -57.05 15.61 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.7 -37.86 70.14 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 t -47.19 -19.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.657 0.265 . . . . 0.0 110.577 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.87 -21.28 28.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 CA-C-O 121.423 0.63 . . . . 0.0 109.825 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.25 -25.74 38.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.29 -59.19 5.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.984 0.421 . . . . 0.0 111.904 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -37.25 61.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.139 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' B' ' 24' ' ' ILE . 70.2 t -61.88 -49.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.81 -44.51 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.53 -42.6 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.872 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' B' ' 21' ' ' VAL . 20.8 mt -52.52 -49.6 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.173 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.39 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.286 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.81 -39.76 95.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.09 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.57 -23.5 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.3 mtt -77.22 -34.62 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.949 0.404 . . . . 0.0 110.611 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.45 -17.57 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.647 ' NZ ' ' HZ1' ' A' ' 30' ' ' LYS . 67.9 mttm -63.84 -42.29 97.64 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.693 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -96.11 5.18 51.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.648 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 -29.05 70.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.52 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.7 -43.56 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -61.84 -42.96 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.43 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.72 -19.47 0.11 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' ILE . 47.2 mt -80.47 -33.73 36.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.6 ttt -61.45 -63.14 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.55 -19.22 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.478 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -65.15 -58.65 9.19 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -52.13 -38.69 48.7 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -45.75 -18.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.835 0.35 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 20' ' ' THR . 8.9 p -67.64 -25.76 33.72 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.2 mt -52.69 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.64 -55.62 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -47.68 -40.8 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' THR . 77.3 t -63.26 -51.16 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 25' ' ' THR . 73.4 mt -54.9 -47.16 76.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.68 -42.29 94.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.015 0.436 . . . . 0.0 110.212 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.54 -53.66 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.141 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 22' ' ' ILE . 1.8 t -60.63 -36.68 79.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.435 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.68 -39.39 93.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.4 -23.39 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.43 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.82 -36.06 62.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.2 mp -73.83 -20.93 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.701 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 65.8 mttm -63.32 -40.67 97.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -92.19 3.53 55.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.571 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -29.92 72.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.15 93.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.44 -43.25 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.825 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.3 mm -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.319 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.22 -19.5 0.13 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 9' ' ' ILE . 47.2 mt -80.3 -33.44 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.5 ttt -61.57 -63.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.63 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.43 -19.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.572 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.555 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.97 -58.71 9.2 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -52.02 -38.5 47.39 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -45.88 -18.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.81 0.338 . . . . 0.0 110.636 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.555 HG12 ' O ' ' B' ' 14' ' ' GLY . 9.1 p -67.78 -25.06 31.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 93.2 mt -53.4 -20.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.65 12.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.208 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.541 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -47.58 -41.14 20.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.3 t -63.23 -50.85 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.744 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' B' ' 25' ' ' THR . 75.5 mt -54.86 -47.36 75.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.72 -42.65 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 0.0 110.249 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -50.83 -53.99 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.147 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 22' ' ' ILE . 2.0 t -60.8 -36.03 77.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.21 0.319 . . . . 0.0 110.474 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.04 -39.66 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.1 -22.96 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.39 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -75.51 -36.5 60.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.455 HD12 ' N ' ' B' ' 29' ' ' LEU . 11.2 mp -73.45 -20.55 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 65.2 mttm -63.67 -41.39 98.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.762 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -91.32 3.53 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.608 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.85 -22.35 69.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.6 -29.45 16.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.72 0.295 . . . . 0.0 110.93 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.98 -43.17 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.78 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' MET . 2.3 pp -61.35 -39.18 81.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.792 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.5 -19.42 0.27 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 9' ' ' ILE . 57.9 mt -77.41 -35.35 54.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.457 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.8 ttt -59.69 -63.31 1.35 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.487 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.31 -19.23 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.14 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.9 -58.15 13.14 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.81 -38.2 72.57 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 16' ' ' VAL . 22.0 t -46.88 -19.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 122.614 -0.344 . . . . 0.0 110.906 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 20' ' ' THR . 92.6 t -68.53 -23.63 28.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-O 121.266 0.555 . . . . 0.0 110.582 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.6 -21.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.152 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.79 -54.18 30.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.184 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.3 t -51.31 -39.75 57.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.805 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.88 -49.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.87 -48.49 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.407 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.77 -42.33 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.824 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.18 -49.77 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.473 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.78 -36.36 84.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.521 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.61 -40.15 96.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.437 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.51 -23.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.789 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.9 mtt -76.32 -34.24 59.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 109.972 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -74.89 -19.8 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.498 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.23 -42.15 99.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.573 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -94.24 5.19 52.54 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.98 -22.26 69.17 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.76 -29.28 16.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.987 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.12 -43.19 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 12' ' ' MET . 2.3 pp -61.26 -39.29 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.816 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -19.29 0.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.1 mt -77.52 -35.28 53.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 110.419 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.496 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.8 ttt -59.67 -63.3 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.52 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.36 -19.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.22 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.11 13.26 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.83 -38.19 72.68 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -46.83 -19.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.547 -0.384 . . . . 0.0 110.937 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 20' ' ' THR . 92.3 t -68.62 -23.61 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 110.52 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.63 -21.03 6.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.155 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.68 -54.3 29.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 111.173 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.3 t -51.21 -39.76 57.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.928 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.85 -49.82 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.02 -48.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.396 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.71 -42.35 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.823 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.6 mt -53.14 -49.8 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.437 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.82 -36.33 83.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.476 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.51 -40.29 96.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.473 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.47 -23.93 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.758 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.6 mtt -76.38 -34.22 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.996 0.427 . . . . 0.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.94 -19.79 59.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.542 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.09 -42.1 99.55 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -94.35 5.13 52.73 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.896 0.379 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.71 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.75 -24.24 71.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 -31.11 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.532 0.206 . . . . 0.0 110.952 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.0 -43.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.869 0.366 . . . . 0.0 110.665 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' MET . 30.1 pt -61.16 -33.1 54.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.54 -17.73 0.28 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 9' ' ' ILE . 51.7 mt -79.05 -34.62 43.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.718 0.294 . . . . 0.0 110.867 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ILE . 27.7 ttt -60.85 -63.89 1.14 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.667 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.63 -20.36 21.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.0 22.52 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.72 -37.39 76.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -47.43 -19.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.59 0.233 . . . . 0.0 110.588 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' GLY . 93.0 t -67.04 -21.06 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.602 0.715 . . . . 0.0 109.734 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.68 -24.76 34.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.878 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.67 -58.99 5.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 111.897 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -37.1 61.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.649 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.84 -49.15 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -55.78 -44.55 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.3 t -66.16 -42.2 90.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.829 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.03 -50.81 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.126 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.82 -37.13 86.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 110.692 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.95 -39.18 91.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.03 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.47 -23.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.67 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmm -75.41 -36.66 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.32 -18.49 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.38 -42.69 96.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.789 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -95.78 3.36 53.86 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.502 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.88 -23.94 71.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.85 -31.15 23.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.504 0.192 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.97 -43.41 92.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 110.672 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' MET . 29.9 pt -61.2 -32.96 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.77 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.78 -17.58 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.443 ' N ' ' C ' ' B' ' 9' ' ' ILE . 51.3 mt -79.06 -34.67 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.444 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.8 ttt -60.75 -63.92 1.13 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.676 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.63 -20.41 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.06 22.16 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.71 -37.19 75.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 18.1 t -47.5 -19.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.578 0.228 . . . . 0.0 110.625 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 15' ' ' GLY . 93.3 t -67.08 -20.99 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 109.814 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.75 -24.66 34.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.88 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -59.01 5.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 111.862 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.414 ' H ' HG22 ' B' ' 20' ' ' THR . 0.7 OUTLIER -53.18 -37.04 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.696 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.9 -49.24 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.68 -44.54 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.3 -42.14 90.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.93 -50.92 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.123 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -63.81 -37.17 86.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.712 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.88 -39.26 91.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.975 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.42 -23.61 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 13.0 mmm -75.45 -36.81 60.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.17 -18.55 60.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.38 -42.66 96.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.772 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -95.66 3.23 54.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.534 -179.856 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.62 93.64 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.29 90.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.632 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.9 -43.06 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.599 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' MET . 96.9 mt -62.58 -42.8 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.392 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.74 -19.66 0.34 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 9' ' ' ILE . 52.4 mt -76.68 -32.37 57.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -64.31 -63.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -55.73 -20.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.94 -56.73 16.94 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.12 -40.72 67.56 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -46.99 -19.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 122.574 -0.368 . . . . 0.0 110.661 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.514 ' O ' HG22 ' A' ' 20' ' ' THR . 93.0 t -70.99 -25.73 26.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 CA-C-O 121.037 0.446 . . . . 0.0 110.357 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.0 -21.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.192 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -57.04 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 111.264 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.8 t -48.34 -40.59 25.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.794 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' A' ' 20' ' ' THR . 75.4 t -64.38 -51.8 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.343 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -52.49 -47.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG22 HG22 ' B' ' 23' ' ' VAL . 70.2 t -63.64 -44.94 98.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.458 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.53 -54.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.539 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 26' ' ' LEU . 4.9 t -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.87 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' HG23 ' A' ' 25' ' ' THR . 19.2 mt -52.78 -48.08 67.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.357 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 30' ' ' LYS . 54.5 t -49.58 -58.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.214 -0.594 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -43.7 -40.57 4.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.013 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.2 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 111.058 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 27' ' ' VAL . 98.2 mttt -82.16 -8.64 59.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -124.77 0.03 8.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.435 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.97 92.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.2 90.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.93 -43.05 89.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.597 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 12' ' ' MET . 96.9 mt -62.67 -42.96 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.508 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.49 -19.45 0.27 Allowed Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' B' ' 9' ' ' ILE . 51.8 mt -76.53 -33.19 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.984 0.421 . . . . 0.0 110.733 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.481 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -63.59 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.864 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -55.93 -20.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.9 -56.69 17.24 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.12 -40.68 67.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.42 ' H ' HG23 ' B' ' 16' ' ' VAL . 7.5 t -47.12 -19.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.645 -0.327 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.53 ' O ' HG22 ' B' ' 20' ' ' THR . 93.5 t -71.19 -25.5 25.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 121.069 0.462 . . . . 0.0 110.395 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 41.8 mm -56.34 -21.12 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.22 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -57.1 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.351 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.53 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -48.37 -40.55 26.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.417 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.0 t -64.35 -51.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.284 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.7 mt -52.47 -47.4 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 23' ' ' VAL . 72.2 t -63.75 -44.91 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.407 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.61 -53.9 22.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.503 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.441 HG23 ' N ' ' B' ' 26' ' ' LEU . 4.8 t -66.03 -41.23 91.21 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.918 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.441 ' N ' HG23 ' B' ' 25' ' ' THR . 19.2 mt -52.53 -48.08 66.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' B' ' 30' ' ' LYS . 54.9 t -49.66 -58.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.921 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.8 mtt -43.56 -40.62 4.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.986 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.419 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.26 60.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.712 0.291 . . . . 0.0 111.003 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 27' ' ' VAL . 98.2 mttt -82.02 -8.33 59.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -125.22 0.3 7.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.753 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.395 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.09 -22.92 72.79 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.07 -31.77 25.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.52 -43.61 90.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 12' ' ' MET . 27.9 pt -62.61 -34.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.81 -16.9 0.23 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.6 mt -79.68 -32.37 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.765 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.06 -63.61 1.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 -179.428 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.549 ' N ' ' SD ' ' A' ' 12' ' ' MET . 27.7 m -59.32 -21.01 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.648 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.47 -55.67 21.82 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.99 -39.46 68.98 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 t -46.45 -20.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.594 0.235 . . . . 0.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' A' ' 15' ' ' GLY . 97.3 t -68.09 -21.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 0.0 110.165 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -24.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.921 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -59.55 4.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.708 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.16 -35.97 62.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.43 -55.56 20.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-O 121.22 0.534 . . . . 0.0 110.041 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 25' ' ' THR . 67.4 mt -46.3 -39.83 3.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.1 -42.19 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.391 0.615 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -40.97 -51.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.659 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 22' ' ' ILE . 3.1 t -59.18 -37.72 78.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.776 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.46 -26.88 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.589 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.9 mtt -73.62 -35.0 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -76.11 -21.31 56.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HZ3' ' NZ ' ' B' ' 30' ' ' LYS . 68.4 mttm -67.33 -42.6 83.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.955 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.02 0.31 57.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.759 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.449 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.64 -23.23 73.82 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.9 -31.46 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.755 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.55 -43.59 90.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.444 ' C ' ' N ' ' B' ' 11' ' ' LEU . 27.5 pt -63.01 -34.36 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.616 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.98 -16.87 0.24 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.444 ' N ' ' C ' ' B' ' 9' ' ' ILE . 57.3 mt -79.76 -32.83 41.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 110.821 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -64.58 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.829 -179.433 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.545 ' N ' ' SD ' ' B' ' 12' ' ' MET . 27.9 m -59.48 -20.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.722 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.57 -55.59 22.07 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.8 -39.67 68.73 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.425 ' H ' HG23 ' B' ' 16' ' ' VAL . 13.2 t -46.25 -20.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.597 0.237 . . . . 0.0 110.672 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.66 -21.22 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.786 0.803 . . . . 0.0 110.127 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.38 -24.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.878 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.22 -59.52 4.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.685 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.17 -36.13 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.232 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.18 -55.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.22 0.534 . . . . 0.0 110.047 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.653 ' O ' HG22 ' B' ' 25' ' ' THR . 68.3 mt -46.74 -39.65 4.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.26 -42.2 94.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.298 0.571 . . . . 0.0 110.747 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.8 mt -40.9 -51.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.618 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 22' ' ' ILE . 3.2 t -59.25 -38.14 79.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.76 -39.6 94.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.551 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.9 -26.73 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.571 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.7 mtt -73.65 -34.9 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.24 -21.4 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.716 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.671 ' NZ ' ' HZ3' ' A' ' 30' ' ' LYS . 68.0 mttm -67.32 -42.33 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.29 0.31 57.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.509 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -29.42 24.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.653 0.263 . . . . 0.0 110.763 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.73 -43.6 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.666 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -63.66 -27.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.668 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.2 -20.65 7.06 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.91 -32.86 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.876 0.37 . . . . 0.0 110.673 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.09 -63.53 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -58.22 -20.78 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.32 -56.38 20.38 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.55 -38.89 72.64 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -46.86 -18.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.8 0.333 . . . . 0.0 110.72 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 20' ' ' THR . 95.4 t -69.93 -23.79 25.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 121.006 0.432 . . . . 0.0 110.213 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.97 -21.78 8.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -56.83 12.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.324 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.7 t -48.88 -41.26 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' A' ' 20' ' ' THR . 95.2 t -63.35 -50.57 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.139 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.6 -47.51 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.16 -43.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.994 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.91 -52.79 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.232 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -62.91 -37.46 87.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.752 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 30' ' ' LYS . 11.5 mt -61.47 -43.18 99.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 78.2 t -54.65 -69.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.231 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.83 -36.1 11.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.804 0.335 . . . . 0.0 110.699 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt -78.63 -20.97 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.807 0.337 . . . . 0.0 110.462 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' LEU . 28.9 ttmt -62.5 -44.3 96.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.191 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -100.98 12.92 36.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.569 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.91 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.07 -29.46 24.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.672 0.273 . . . . 0.0 110.786 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.637 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -63.72 -27.25 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.673 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.4 -20.49 7.3 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.6 mt -77.08 -32.66 56.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.0 110.639 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' B' ' 12' ' ' MET . 0.4 OUTLIER -64.25 -63.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.312 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.41 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.8 m -58.21 -20.81 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.37 -56.33 20.55 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.49 -38.99 72.29 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -46.88 -18.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.655 -0.321 . . . . 0.0 110.654 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 20' ' ' THR . 95.4 t -70.01 -23.74 25.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.016 0.436 . . . . 0.0 110.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.91 -21.85 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.208 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.92 11.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.7 t -48.73 -41.3 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.741 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' B' ' 20' ' ' THR . 92.5 t -63.34 -50.49 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.135 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.67 -47.44 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.28 -43.53 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.923 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.96 -52.64 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.28 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.404 ' H ' HG22 ' B' ' 25' ' ' THR . 1.7 t -63.06 -37.38 86.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.705 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' B' ' 30' ' ' LYS . 11.4 mt -61.59 -43.25 99.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.243 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LYS . 76.9 t -54.5 -69.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.239 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.85 -35.94 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.645 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.75 -21.13 48.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.847 0.356 . . . . 0.0 110.45 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' B' ' 26' ' ' LEU . 28.9 ttmt -62.4 -44.12 97.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -101.28 12.95 36.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.462 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.55 -22.43 69.69 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.52 -28.63 28.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.47 -44.09 87.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.937 0.399 . . . . 0.0 110.684 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 pt -59.71 -36.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.44 -22.91 4.05 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -77.84 -34.36 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.3 ttt -62.91 -63.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.605 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.08 -21.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.393 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.24 -56.21 21.57 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -55.03 -39.46 69.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 t -45.92 -16.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.712 0.291 . . . . 0.0 110.855 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 20' ' ' THR . 88.1 t -70.65 -23.23 24.0 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.24 -21.72 6.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.151 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.0 -57.44 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.265 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.9 t -47.93 -40.96 23.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' N ' ' CG2' ' A' ' 20' ' ' THR . 96.2 t -64.96 -51.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -51.39 -47.99 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.508 HG22 HG22 ' B' ' 23' ' ' VAL . 76.4 t -62.86 -45.51 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.424 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.93 -55.28 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.822 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.25 -39.2 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.969 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.08 -47.91 83.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.223 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.4 t -50.41 -64.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.989 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.7 mtt -45.3 -37.76 5.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.624 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.42 -32.28 66.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' VAL . 47.9 mttp -66.45 -42.85 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.908 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.48 0.11 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.5 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.31 -22.68 69.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.14 -28.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.694 0.283 . . . . 0.0 110.772 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.46 -44.02 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.644 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 12' ' ' MET . 16.7 pt -59.73 -36.92 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.3 -22.77 3.73 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -78.15 -33.68 50.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.559 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 9' ' ' ILE . 11.6 ttt -63.46 -63.54 1.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -59.14 -21.49 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.05 22.7 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.03 -39.48 69.46 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.7 t -45.95 -16.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.506 ' O ' HG22 ' B' ' 20' ' ' THR . 83.9 t -70.58 -23.17 24.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -54.34 -21.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.255 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -57.33 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.358 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -48.1 -41.05 25.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.426 ' N ' ' CG2' ' B' ' 20' ' ' THR . 97.0 t -64.69 -51.47 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.146 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.43 -47.86 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.508 HG22 HG22 ' A' ' 23' ' ' VAL . 74.2 t -63.07 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.503 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.8 -55.31 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.1 t -64.3 -39.18 93.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.948 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.11 -47.91 83.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.312 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 30' ' ' LYS . 63.9 t -50.5 -64.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.958 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.6 mtt -45.22 -37.82 4.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.36 -32.29 66.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 0.0 110.967 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' B' ' 27' ' ' VAL . 47.9 mttp -66.35 -42.63 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.963 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.73 0.23 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.635 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.37 -33.29 80.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.38 83.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.699 0.285 . . . . 0.0 110.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.5 -42.91 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 110.692 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 35.0 mm -61.78 -43.33 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.39 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.66 -20.02 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.4 mt -76.88 -36.04 57.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.906 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' ILE . 26.7 ttt -59.72 -64.0 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.739 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.92 -20.76 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -64.45 -61.43 5.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.76 -38.81 74.55 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' MET . 92.0 t -45.56 -19.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.347 . . . . 0.0 110.607 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 14' ' ' GLY . 84.2 t -62.14 -18.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.601 0.715 . . . . 0.0 110.18 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.17 -31.28 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.2 -60.77 3.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.905 0.383 . . . . 0.0 111.34 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -52.61 -38.8 60.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.303 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.8 -51.06 77.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.31 -44.28 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.32 -42.45 93.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.021 0.439 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.12 -50.72 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.418 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.32 -35.84 82.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.68 -39.35 91.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.38 -22.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmm -76.43 -37.17 57.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.1 -16.9 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.474 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.75 -41.89 97.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.88 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -91.74 6.45 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.609 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.697 -179.654 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.45 82.72 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.59 82.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.69 0.281 . . . . 0.0 110.609 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.44 -42.85 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 11' ' ' LEU . 35.2 mm -61.67 -43.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.78 -19.85 0.07 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.8 mt -77.02 -36.16 56.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.964 0.411 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.1 ttt -59.36 -63.89 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.625 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.39 -20.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.533 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.462 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -64.51 -61.42 5.98 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -55.93 -38.75 76.07 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 12' ' ' MET . 83.4 t -45.59 -19.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.977 0.417 . . . . 0.0 110.644 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 14' ' ' GLY . 88.3 t -62.14 -18.69 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.562 0.696 . . . . 0.0 110.123 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 tt -63.35 -31.05 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.01 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.315 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -52.59 -38.75 60.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.91 -50.9 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.075 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.3 -44.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.32 -42.46 93.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.964 0.411 . . . . 0.0 110.577 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.11 -50.73 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.459 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.42 HG22 ' H ' ' B' ' 25' ' ' THR . 2.1 t -64.42 -35.9 82.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.968 0.413 . . . . 0.0 110.51 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.48 -39.58 91.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.031 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.38 -22.13 26.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.559 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmm -76.27 -37.16 57.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.06 -17.25 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.523 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.58 -41.85 98.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.872 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -91.87 6.32 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.862 -1.065 . . . . 0.0 110.599 -179.73 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.92 -32.64 80.58 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.53 79.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.656 0.265 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.87 -42.68 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 36.5 mm -57.36 -45.11 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.482 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.29 -19.01 0.12 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.3 mt -84.3 -36.36 22.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.595 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.09 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 -179.388 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -61.18 -21.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.489 . . . . 0.0 110.699 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -64.42 -54.06 31.81 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.536 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -56.53 -38.64 81.77 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 16' ' ' VAL . 21.3 t -44.7 -16.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 O-C-N 122.767 -0.255 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 14' ' ' GLY . 8.2 p -67.99 -19.29 24.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-O 121.917 0.865 . . . . 0.0 110.362 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.86 -23.74 30.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -59.2 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.059 0.457 . . . . 0.0 111.918 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.4 t -53.58 -36.79 62.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -54.4 31.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.86 -41.63 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -69.28 -44.16 80.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -49.55 -53.33 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.144 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -60.58 -43.32 97.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.46 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.32 -39.67 73.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.144 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.89 -24.68 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.601 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.1 mmm -74.1 -39.68 63.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.02 -21.06 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.627 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HE3' ' HZ1' ' B' ' 30' ' ' LYS . 67.0 mttm -70.34 -42.2 72.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.979 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -92.89 -3.97 53.66 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 117.558 -1.21 . . . . 0.0 110.701 -179.539 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -33.47 81.19 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.04 77.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.732 0.301 . . . . 0.0 110.695 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.19 -42.9 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' B' ' 12' ' ' MET . 38.1 mm -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.81 -18.9 0.14 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.3 mt -84.12 -35.8 23.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 110.594 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -61.95 -64.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.687 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.2 m -61.13 -21.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.053 0.454 . . . . 0.0 110.669 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.505 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.83 -53.91 31.53 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.51 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -56.43 -38.5 80.05 Favored Glycine 0 C--O 1.225 -0.447 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -44.94 -16.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.626 0.251 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.505 HG12 ' O ' ' B' ' 14' ' ' GLY . 7.3 p -67.73 -19.2 24.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.832 0.825 . . . . 0.0 110.439 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.74 -23.88 30.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -59.22 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.897 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -53.84 -36.87 63.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.98 -54.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.031 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.59 -41.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.17 -44.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.844 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.7 -53.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.174 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -60.54 -42.97 97.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 110.396 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.56 -39.71 73.93 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.055 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.63 -24.84 35.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.509 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.2 mmm -73.95 -39.6 63.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 0.0 110.646 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -70.33 -20.99 62.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.676 ' HZ1' ' HE3' ' A' ' 30' ' ' LYS . 67.1 mttm -70.36 -41.7 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -93.62 -4.02 51.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.702 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 117.577 -1.201 . . . . 0.0 110.741 -179.526 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.13 74.05 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.25 -32.74 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.635 0.255 . . . . 0.0 110.768 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.17 -43.72 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.784 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' MET . 23.0 pt -58.97 -33.12 49.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.3 0.52 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.9 mt -80.86 -31.19 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ILE . 25.3 ttt -64.57 -63.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -58.97 -20.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.55 -56.88 14.66 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.65 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -53.59 -39.24 60.16 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -47.0 -19.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 O-C-N 122.621 -0.341 . . . . 0.0 110.465 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 20' ' ' THR . 94.1 t -69.61 -21.86 24.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 122.153 0.978 . . . . 0.0 110.12 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 18' ' ' ILE . 38.0 mm -59.71 -18.81 15.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.091 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -56.64 5.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -50.42 -45.07 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.582 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 22' ' ' ILE . 2.7 p -60.49 -47.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.437 ' N ' HG13 ' A' ' 21' ' ' VAL . 65.4 mt -55.01 -43.98 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.44 -40.8 85.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.059 0.457 . . . . 0.0 110.431 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.32 -50.12 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.089 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -63.8 -36.29 83.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.007 0.432 . . . . 0.0 110.006 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.81 -39.59 94.6 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.401 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.38 -22.6 28.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -33.36 42.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.633 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.39 -19.74 59.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.95 -41.59 97.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.635 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.17 4.63 52.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.513 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 tttm . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.85 -26.93 73.79 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.32 -31.97 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.743 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.8 -43.6 93.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.669 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' B' ' 12' ' ' MET . 23.2 pt -59.25 -33.55 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.648 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.76 -19.13 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.6 mt -80.86 -31.47 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.689 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.465 ' N ' ' O ' ' B' ' 9' ' ' ILE . 24.5 ttt -64.47 -63.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.9 m -58.96 -19.89 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.5 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.74 -56.91 14.05 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -53.53 -39.43 60.21 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.403 ' H ' HG23 ' B' ' 16' ' ' VAL . 10.6 t -47.0 -19.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.63 -0.336 . . . . 0.0 110.534 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 15' ' ' GLY . 97.3 t -69.66 -21.89 24.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-O 122.145 0.974 . . . . 0.0 110.1 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' B' ' 18' ' ' ILE . 37.9 mm -59.55 -18.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.18 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.88 -56.47 5.15 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER -50.41 -44.36 55.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.536 -179.185 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.438 HG13 ' N ' ' B' ' 22' ' ' ILE . 2.8 p -60.99 -47.37 93.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.438 ' N ' HG13 ' B' ' 21' ' ' VAL . 64.2 mt -55.09 -44.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.21 -40.44 85.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.0 0.429 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 mm -52.73 -50.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.92 -35.99 82.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.093 0.473 . . . . 0.0 110.037 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.99 -39.85 95.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.408 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.27 -22.79 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.0 mtt -78.99 -33.43 45.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -75.48 -20.27 58.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.39 -41.51 98.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.591 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' H ' ' B' ' 31' ' ' LYS . 0.5 OUTLIER -92.18 4.83 52.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.676 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.504 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.0 pttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.76 -25.91 68.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.12 -32.44 24.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.469 0.176 . . . . 0.0 111.297 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.72 -43.34 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' MET . 34.2 pt -62.21 -35.79 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.076 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.52 -19.71 0.3 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 9' ' ' ILE . 59.4 mt -73.37 -36.36 66.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.095 0.474 . . . . 0.0 110.431 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -59.71 -63.26 1.37 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.538 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' N ' ' SD ' ' A' ' 12' ' ' MET . 33.8 m -62.17 -20.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -63.83 -61.27 6.32 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.02 -38.55 86.16 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.352 -0.451 . . . . 0.0 112.132 -178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.8 t -46.4 -19.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 15' ' ' GLY . 76.4 t -60.97 -19.2 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.751 0.786 . . . . 0.0 109.692 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 18' ' ' ILE . 10.4 tp -62.3 -34.0 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.54 -59.82 4.18 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.91 -37.61 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.49 -49.2 85.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.47 -45.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.366 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.7 -41.94 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 110.838 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.7 mt -53.83 -48.76 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.308 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -65.72 -36.59 84.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.698 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.09 -39.17 88.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.254 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.73 -22.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.715 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -73.96 -36.69 64.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.081 0.467 . . . . 0.0 109.95 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.9 mm? -76.82 -18.99 58.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.71 -41.69 95.83 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.411 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -92.5 4.67 53.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.1 -0.953 . . . . 0.0 110.338 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.84 -25.9 68.37 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.15 -32.42 24.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.231 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.76 -43.4 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' B' ' 12' ' ' MET . 33.7 pt -62.11 -35.92 71.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.48 -19.69 0.29 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' B' ' 9' ' ' ILE . 59.2 mt -73.42 -36.32 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.043 0.449 . . . . 0.0 110.389 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.4 OUTLIER -59.75 -63.22 1.38 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.504 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.438 ' N ' ' SD ' ' B' ' 12' ' ' MET . 33.7 m -62.17 -20.77 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.419 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -63.73 -61.4 6.23 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.01 -38.53 86.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.057 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -46.39 -19.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.806 0.336 . . . . 0.0 111.052 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 14' ' ' GLY . 74.1 t -60.91 -19.18 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 109.675 179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 tp -62.34 -33.93 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.941 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -59.76 4.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.99 -37.55 69.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.48 -49.23 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.7 mt -56.43 -45.85 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.444 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.83 -41.77 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.584 0.23 . . . . 0.0 110.846 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mt -54.02 -48.65 63.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.27 -178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 25' ' ' THR . 1.7 t -65.78 -36.59 83.97 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.654 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.11 -39.09 88.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.86 -22.8 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.673 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -74.06 -36.78 64.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.862 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 29' ' ' LEU . 3.8 mm? -76.72 -18.92 58.22 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.81 -41.71 95.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.366 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -92.49 4.65 53.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.313 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.9 96.88 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.79 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.501 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.84 -55.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.671 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 12' ' ' MET . 37.2 mm -63.37 -48.9 85.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.872 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.43 -53.87 4.11 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.29 -21.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.618 0.246 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 22.3 ttt -41.82 -57.12 2.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.362 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' VAL . 10.8 m -55.98 -41.61 68.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.702 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 13' ' ' VAL . . . -30.54 -51.45 0.21 Allowed Glycine 0 CA--C 1.527 0.805 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.496 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.12 -39.33 80.18 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.028 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 34.0 t -47.26 -17.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 122.6 -0.353 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 20' ' ' THR . 94.9 t -69.18 -22.42 25.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.361 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.02 -19.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.129 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -55.08 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.6 t -51.41 -39.62 57.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.082 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.72 -50.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 109.714 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.72 -45.77 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.68 -42.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.76 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.81 -53.18 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.978 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.87 -38.87 89.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.29 -39.79 88.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.5 t -62.24 -25.19 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.704 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.58 -39.81 57.54 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.857 0.36 . . . . 0.0 111.248 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 29' ' ' LEU . 9.8 mp -81.84 -18.6 43.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.684 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HZ3' ' HG2' ' B' ' 30' ' ' LYS . 13.0 mtpp -76.31 -23.07 54.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.003 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.5 2.1 44.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.919 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.388 179.722 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.46 -38.43 96.34 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.16 -55.01 39.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.84 -55.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.622 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' B' ' 12' ' ' MET . 37.7 mm -63.31 -48.82 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.907 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.35 -53.85 4.05 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -46.26 -21.93 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.713 0.292 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' B' ' 9' ' ' ILE . 21.6 ttt -41.83 -57.11 2.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.416 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' VAL . 10.8 m -56.11 -41.42 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.813 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.454 ' N ' HG23 ' B' ' 13' ' ' VAL . . . -30.56 -51.18 0.21 Allowed Glycine 0 CA--C 1.527 0.838 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.437 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.3 -39.58 82.73 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.137 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 13' ' ' VAL . 36.3 t -47.02 -17.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.562 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.478 ' O ' HG22 ' B' ' 20' ' ' THR . 94.7 t -69.21 -22.51 25.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-O 121.315 0.579 . . . . 0.0 110.345 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.08 -20.03 5.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.012 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -55.26 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.238 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.478 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.6 t -51.21 -39.45 56.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.66 -50.24 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 109.692 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.5 mt -53.78 -45.71 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.7 -42.64 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.816 0.341 . . . . 0.0 110.75 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.96 -53.1 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.04 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.85 -38.93 90.04 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.24 -39.82 88.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.26 -24.96 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.65 -39.65 57.34 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.486 HD12 ' N ' ' B' ' 29' ' ' LEU . 9.8 mp -82.11 -18.27 43.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.68 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.529 ' HG2' ' HZ3' ' A' ' 30' ' ' LYS . 13.0 mtpp -76.66 -22.64 53.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.92 2.2 43.47 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.943 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.466 179.743 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.47 93.31 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.46 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.682 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.96 -42.54 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.96 -43.13 98.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.69 2.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -76.74 -30.18 56.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.264 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.37 -63.65 1.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.04 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.51 -19.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -62.47 -57.2 17.6 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.37 -36.38 76.22 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.725 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.5 t -46.91 -17.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 122.542 -0.387 . . . . 0.0 111.02 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 14' ' ' GLY . 8.6 p -67.87 -24.43 30.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-O 121.22 0.533 . . . . 0.0 110.641 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.75 -22.61 6.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.84 -55.98 21.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.141 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.6 t -49.78 -39.91 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.92 -50.36 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.9 mt -55.31 -50.06 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.86 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.535 HG22 HG22 ' B' ' 23' ' ' VAL . 90.6 t -63.42 -44.19 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.489 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.9 mt -57.63 -51.34 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.768 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -71.06 -36.72 72.41 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.772 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.7 mt -51.37 -49.11 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.821 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -47.7 -56.21 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.569 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.33 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.61 -23.37 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.524 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 26' ' ' LEU . 56.7 tttt -62.33 -40.54 96.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.6 15.14 26.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.472 179.166 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.05 -36.33 93.12 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.23 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.11 -42.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.499 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.87 -43.09 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.731 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.64 -18.67 2.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -76.9 -30.02 56.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.855 0.36 . . . . 0.0 110.256 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.32 -63.62 1.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.59 -19.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.206 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.53 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -62.37 -57.28 17.41 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -57.47 -36.38 76.94 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.3 t -46.85 -17.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 122.582 -0.363 . . . . 0.0 110.997 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' B' ' 14' ' ' GLY . 8.8 p -67.96 -24.31 30.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-O 121.284 0.564 . . . . 0.0 110.687 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.88 -22.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.007 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.88 -55.95 21.65 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.499 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.6 t -49.85 -39.93 40.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.8 -50.35 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.853 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.42 -49.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 23' ' ' VAL . 92.0 t -63.52 -44.26 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.475 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.62 -51.28 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.721 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -71.18 -36.61 72.02 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.697 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 30' ' ' LYS . 12.7 mt -51.37 -49.05 62.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.844 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -47.72 -56.27 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.457 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.36 -40.24 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.179 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.57 -23.31 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.513 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' B' ' 26' ' ' LEU . 56.2 tttt -62.24 -40.72 97.08 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.41 14.98 26.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.361 179.187 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.01 98.16 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.49 64.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.426 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -40.92 -53.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.87 -47.01 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.006 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -39.08 -49.92 2.72 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 11' ' ' LEU . 58.0 mt -41.94 -22.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' GLY . 24.5 ttt -49.96 -62.5 1.53 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.979 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 10' ' ' GLY . 6.5 m -62.56 -18.74 21.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.342 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -64.12 -55.43 23.98 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.628 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.21 -33.09 51.67 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.9 t -49.5 -17.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.704 0.288 . . . . 0.0 110.658 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 20' ' ' THR . 8.1 p -67.47 -26.38 35.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-O 121.09 0.471 . . . . 0.0 110.611 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mm -53.76 -19.08 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.66 -54.71 23.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.193 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -49.83 -41.5 45.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' THR . 81.1 t -63.36 -50.45 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -54.81 -46.67 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG22 HG22 ' B' ' 23' ' ' VAL . 94.2 t -65.19 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.705 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.87 -51.31 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.07 -37.7 88.41 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.842 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.73 -43.16 98.24 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.45 -22.97 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.962 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.9 mmm -80.31 -44.08 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -79.49 -8.67 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.613 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -83.91 -20.53 32.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.147 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -107.71 3.35 24.53 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.733 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.23 98.99 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.37 -52.68 64.19 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -41.07 -53.5 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.468 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.83 -47.4 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.009 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.496 ' O ' HG22 ' B' ' 13' ' ' VAL . . . -38.8 -49.73 2.53 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.07 -22.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.556 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.466 ' N ' ' O ' ' B' ' 10' ' ' GLY . 24.8 ttt -50.19 -62.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.895 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 10' ' ' GLY . 6.4 m -62.6 -18.76 21.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.315 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.444 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.05 -55.24 25.31 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -54.49 -33.28 53.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -49.3 -17.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.675 0.274 . . . . 0.0 110.66 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.502 ' O ' HG22 ' B' ' 20' ' ' THR . 8.3 p -67.43 -26.26 35.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-O 121.142 0.496 . . . . 0.0 110.687 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.7 mm -53.82 -19.3 2.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.109 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.47 -54.8 23.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.502 HG22 ' O ' ' B' ' 17' ' ' VAL . 2.1 t -49.78 -41.54 44.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 20' ' ' THR . 86.2 t -63.21 -50.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.082 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 80.5 mt -54.83 -46.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 23' ' ' VAL . 93.6 t -65.08 -41.98 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.96 -51.23 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.993 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.14 -37.71 88.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.721 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.182 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.42 -23.03 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.881 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 26.5 mmm -80.29 -43.96 20.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.31 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.411 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.2 mm? -79.58 -8.79 59.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.625 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -83.81 -20.73 32.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.147 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -107.48 3.46 25.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.446 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptp . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.09 74.57 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.63 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.664 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -43.61 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.432 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.62 -25.95 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.47 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.74 -22.29 25.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.28 -29.93 57.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -67.06 -63.26 1.1 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.94 -21.23 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -62.62 -59.68 8.92 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -51.65 -40.0 47.22 Favored Glycine 0 C--O 1.224 -0.496 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 t -46.39 -16.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 122.47 -0.429 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 20' ' ' THR . 4.1 p -74.0 -28.03 23.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.8 mm -52.65 -19.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 O-C-N 123.836 0.71 . . . . 0.0 110.103 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.95 -58.25 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 17' ' ' VAL . 3.9 t -46.99 -40.35 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.433 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.444 ' N ' ' CG2' ' A' ' 20' ' ' THR . 94.4 t -67.04 -53.29 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.378 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -45.67 -49.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG22 HG22 ' B' ' 23' ' ' VAL . 58.6 t -63.57 -46.75 94.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.184 0.516 . . . . 0.0 110.395 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.07 -59.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 25' ' ' THR . 1.7 t -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.621 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 33.2 mt -57.93 -51.16 70.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.899 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.53 -60.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 123.328 0.392 . . . . 0.0 110.457 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.5 mtm -54.72 -38.41 67.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.596 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.66 -21.77 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.19 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . 39.4 tttm -63.96 -41.19 97.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -104.16 18.15 22.67 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.355 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.516 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.4 tptp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 -23.65 74.09 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.25 -34.48 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.705 0.288 . . . . 0.0 110.72 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.36 -43.81 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 pt -64.61 -26.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.99 -22.17 19.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.5 mt -76.06 -30.55 58.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.5 ttt -66.67 -63.28 1.1 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 m -56.69 -21.34 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.507 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -62.75 -59.58 8.99 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -51.49 -40.09 46.18 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 t -46.5 -16.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.969 0.414 . . . . 0.0 110.714 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.507 HG12 ' O ' ' B' ' 14' ' ' GLY . 4.2 p -73.36 -28.05 24.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.27 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' B' ' 18' ' ' ILE . 45.3 mm -52.64 -19.55 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.816 0.697 . . . . 0.0 110.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.3 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 17' ' ' VAL . 3.7 t -46.87 -41.02 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 20' ' ' THR . 95.7 t -66.25 -53.36 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.268 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -45.83 -49.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.938 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 23' ' ' VAL . 59.8 t -63.37 -46.52 95.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.119 0.485 . . . . 0.0 110.42 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.14 -59.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -60.41 -41.43 93.88 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' B' ' 30' ' ' LYS . 31.2 mt -58.2 -51.18 70.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.888 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -47.44 -60.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.233 0.333 . . . . 0.0 110.349 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 78.6 mtm -54.98 -38.15 67.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.88 -21.96 43.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' B' ' 26' ' ' LEU . 38.9 tttm -63.71 -41.36 98.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.254 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -103.86 18.08 22.73 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.579 -179.865 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -34.5 90.11 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.67 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.721 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.4 mt -70.23 -44.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.828 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.48 -43.05 98.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.432 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 12' ' ' MET . . . -37.02 -47.65 1.35 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 14' ' ' GLY . 62.8 mt -44.23 -21.59 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.833 0.349 . . . . 0.0 110.771 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' GLY . 25.4 ttt -42.88 -51.4 5.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.316 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -67.93 -21.5 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.603 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.96 -51.04 61.08 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.62 -32.53 69.43 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.17 -16.69 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.863 0.363 . . . . 0.0 110.659 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' ALA . 57.5 t -64.72 -53.57 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.14 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG22 HG13 ' A' ' 22' ' ' ILE . 96.3 mt -41.82 -19.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.77 0.319 . . . . 0.0 110.811 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.64 -55.34 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 21' ' ' VAL . 6.4 t -58.32 -41.96 85.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.139 0.495 . . . . 0.0 110.485 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 20' ' ' THR . 79.5 t -59.62 -49.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.01 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.449 HG13 HG22 ' A' ' 18' ' ' ILE . 79.0 mt -54.08 -33.54 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.921 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.516 HG22 HG22 ' B' ' 23' ' ' VAL . 58.4 t -77.31 -48.52 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.1 mt -51.91 -48.61 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 26' ' ' LEU . 8.2 t -66.62 -45.66 78.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' N ' HG23 ' A' ' 25' ' ' THR . 30.2 mt -58.98 -39.25 81.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.075 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG22 ' NZ ' ' B' ' 30' ' ' LYS . 32.5 t -56.33 -49.19 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.064 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LYS . 67.4 mtt -58.69 -32.08 68.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.765 0.317 . . . . 0.0 110.601 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.7 mt -79.7 -14.68 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 95.4 mttt -86.64 -9.92 54.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.674 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.62 18.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' MET . 64.8 tttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.487 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.75 90.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.26 97.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.625 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.82 -44.13 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.766 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.32 -42.85 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.236 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -37.02 -47.92 1.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' GLY . 61.1 mt -44.09 -21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.702 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 10' ' ' GLY . 25.2 ttt -42.84 -51.24 5.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.11 -21.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.06 0.457 . . . . 0.0 110.585 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.62 -50.97 61.78 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.59 -32.45 69.15 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -66.59 -16.88 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' ALA . 58.5 t -64.35 -53.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.158 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.464 HG22 HG13 ' B' ' 22' ' ' ILE . 96.1 mt -42.14 -19.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.726 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.94 -55.08 22.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.19 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.468 HG23 ' N ' ' B' ' 21' ' ' VAL . 6.1 t -58.23 -41.91 85.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.167 0.508 . . . . 0.0 110.397 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.468 ' N ' HG23 ' B' ' 20' ' ' THR . 75.9 t -59.89 -49.57 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.464 HG13 HG22 ' B' ' 18' ' ' ILE . 79.0 mt -54.08 -32.95 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.907 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 23' ' ' VAL . 59.6 t -77.58 -48.76 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.923 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.82 -48.71 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.856 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.539 HG23 ' N ' ' B' ' 26' ' ' LEU . 7.9 t -66.29 -45.71 79.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.597 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.539 ' N ' HG23 ' B' ' 25' ' ' THR . 29.4 mt -59.14 -39.27 81.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.179 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.57 HG22 ' NZ ' ' A' ' 30' ' ' LYS . 32.6 t -56.24 -49.38 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.979 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -58.55 -31.91 68.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.661 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.92 -14.85 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.648 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 95.3 mttt -86.56 -9.67 55.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.628 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.02 19.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.525 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.22 -33.42 75.16 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.02 82.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.615 0.245 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.54 -43.68 83.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.943 0.401 . . . . 0.0 110.725 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.64 -42.73 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.151 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.19 -52.77 1.65 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' GLY . 59.0 mt -45.08 -23.53 0.16 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.549 0.214 . . . . 0.0 111.238 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.25 -53.5 6.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.54 -21.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.527 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.2 -50.79 63.78 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.08 -33.84 81.19 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.94 -17.08 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.926 0.393 . . . . 0.0 110.716 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' ALA . 98.8 t -63.09 -52.21 61.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.396 -0.522 . . . . 0.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.408 HG22 HG13 ' A' ' 22' ' ' ILE . 96.3 mt -41.17 -20.78 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.115 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.842 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.21 -55.72 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 5.8 t -57.91 -41.83 83.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 20' ' ' THR . 72.2 t -59.99 -48.7 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.745 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG13 HG22 ' A' ' 18' ' ' ILE . 84.9 mt -54.7 -36.99 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.723 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 27' ' ' VAL . 59.7 t -73.41 -48.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.0 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -52.48 -48.46 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.355 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 26' ' ' LEU . 7.1 t -67.55 -44.0 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.498 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' N ' HG23 ' A' ' 25' ' ' THR . 32.2 mt -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.648 HG22 ' NZ ' ' B' ' 30' ' ' LYS . 37.8 t -54.26 -55.23 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.951 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.9 mtt -52.82 -30.86 35.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.752 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.8 -17.15 48.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.582 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.667 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 96.5 mttt -86.05 -13.49 47.23 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.771 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.59 15.13 2.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.523 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.57 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.21 -33.44 75.2 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.05 82.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.645 0.26 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.55 -43.59 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.711 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.64 -42.74 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.141 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.28 -52.6 1.7 Allowed Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 14' ' ' GLY . 59.7 mt -45.24 -23.44 0.18 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.617 0.246 . . . . 0.0 111.345 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.49 -53.27 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.119 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.83 -21.76 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.227 0.537 . . . . 0.0 110.275 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.14 -50.92 62.44 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -33.78 80.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.14 -17.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' B' ' 19' ' ' ALA . 94.9 t -63.07 -52.23 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.769 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.42 HG22 HG13 ' B' ' 22' ' ' ILE . 96.3 mt -41.12 -20.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.772 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.13 -55.73 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.906 0.384 . . . . 0.0 110.033 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.438 HG23 ' N ' ' B' ' 21' ' ' VAL . 5.8 t -57.87 -41.85 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.582 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.438 ' N ' HG23 ' B' ' 20' ' ' THR . 69.3 t -59.98 -48.81 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.846 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.42 HG13 HG22 ' B' ' 18' ' ' ILE . 85.0 mt -54.54 -36.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.673 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.486 ' O ' HG23 ' B' ' 27' ' ' VAL . 61.8 t -73.5 -48.33 41.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.05 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -52.49 -48.35 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.428 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 26' ' ' LEU . 6.9 t -67.54 -44.03 79.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.522 ' N ' HG23 ' B' ' 25' ' ' THR . 32.9 mt -60.47 -41.4 94.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.587 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.641 HG22 ' NZ ' ' A' ' 30' ' ' LYS . 37.7 t -54.2 -55.23 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.053 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -52.72 -30.98 35.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.732 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.72 -17.33 48.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.667 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 96.5 mttt -85.8 -13.64 47.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.27 14.83 2.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.556 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.73 -30.95 73.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.79 90.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 110.666 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.5 -43.12 91.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -62.29 -42.84 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.341 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.29 -20.29 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ILE . 54.4 mt -77.87 -34.37 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.812 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.3 ttt -61.17 -63.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.676 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.62 -20.87 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.02 -56.6 19.82 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.75 -39.16 75.73 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -47.24 -18.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.596 -0.355 . . . . 0.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' THR . 99.1 t -70.55 -23.69 24.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 CA-C-O 121.261 0.553 . . . . 0.0 110.24 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.82 -21.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -56.84 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.371 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -48.97 -41.11 33.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.784 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' THR . 70.4 t -63.89 -50.64 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.085 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.5 -47.35 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 HG22 ' B' ' 23' ' ' VAL . 74.8 t -63.11 -44.18 99.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.498 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.16 -52.53 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.097 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -67.96 -36.9 80.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.189 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.269 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.0 t -48.94 -60.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.955 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -54.36 -37.86 65.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.412 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.64 -32.67 71.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -64.49 -44.14 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -101.07 4.64 42.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.605 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.43 76.51 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.61 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.7 0.286 . . . . 0.0 110.721 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.38 -43.22 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.644 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.2 mm -62.35 -42.8 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.354 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.21 -20.27 0.28 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' B' ' 9' ' ' ILE . 56.0 mt -77.72 -34.88 52.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.906 0.384 . . . . 0.0 110.798 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.4 ttt -60.94 -63.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.2 m -58.46 -20.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.97 -56.44 20.84 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.69 -39.35 75.75 Favored Glycine 0 N--CA 1.464 0.555 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.406 ' H ' HG23 ' B' ' 16' ' ' VAL . 20.7 t -47.24 -18.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 122.626 -0.338 . . . . 0.0 110.734 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.5 ' O ' HG22 ' B' ' 20' ' ' THR . 98.0 t -70.49 -23.73 24.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 121.307 0.575 . . . . 0.0 110.363 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.83 -21.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.207 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.36 -56.97 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.475 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.5 HG22 ' O ' ' B' ' 17' ' ' VAL . 2.0 t -49.04 -41.06 33.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.424 ' N ' ' CG2' ' B' ' 20' ' ' THR . 71.0 t -63.84 -50.4 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.147 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.73 -47.49 62.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 23' ' ' VAL . 78.3 t -63.01 -44.23 99.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.457 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.2 -52.31 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -68.03 -36.78 80.5 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.1 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.36 -48.38 82.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.293 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.98 -59.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -54.36 -37.8 65.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.77 -32.61 71.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.761 0.315 . . . . 0.0 111.199 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -64.54 -44.18 91.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.899 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -100.95 4.52 42.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.514 179.778 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 9' ' ' ILE . 66.0 tttm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.55 -32.71 85.09 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.58 -27.52 19.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.51 -43.87 83.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 120.945 0.403 . . . . 0.0 110.905 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 5' ' ' LYS . 2.2 pp -58.59 -41.15 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.273 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -36.99 -57.78 1.27 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 60.6 mt -40.92 -25.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.706 0.289 . . . . 0.0 110.589 -178.743 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLY . 28.5 ttt -52.65 -64.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 10' ' ' GLY . 15.0 m -63.14 -19.01 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -56.22 19.4 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.595 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.32 61.94 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.17 -18.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 110.788 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.2 -20.21 26.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 CA-C-O 121.477 0.656 . . . . 0.0 109.771 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.33 -22.4 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.794 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.57 -58.15 7.15 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -38.35 62.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.59 -50.04 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.885 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.25 -43.12 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.95 -41.03 86.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.845 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.4 -49.71 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.767 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -64.67 -37.6 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.466 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.09 -38.95 88.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.109 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.34 -22.48 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.645 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.7 mtt -76.4 -35.67 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.0 mm? -76.1 -16.95 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.45 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.49 -41.72 98.56 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.582 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -95.17 6.17 49.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.981 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.714 179.975 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.431 ' O ' HG23 ' B' ' 9' ' ' ILE . 66.0 tttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.36 -32.59 84.67 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.41 -27.67 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.633 0.254 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.57 -43.96 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.431 HG23 ' O ' ' B' ' 5' ' ' LYS . 2.2 pp -58.43 -40.95 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.181 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.474 ' O ' HG22 ' B' ' 13' ' ' VAL . . . -37.17 -57.8 1.33 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 mt -40.95 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.587 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' MET . . . . . 0.448 ' N ' ' O ' ' B' ' 10' ' ' GLY . 28.4 ttt -53.4 -64.17 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 10' ' ' GLY . 15.1 m -63.09 -19.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.579 179.624 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -63.92 -56.11 20.55 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.581 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.15 -34.79 62.98 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -48.72 -18.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.769 0.319 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 14' ' ' GLY . 92.7 t -66.23 -20.16 26.79 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 121.532 0.682 . . . . 0.0 109.801 179.345 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.67 -22.3 29.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.745 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.09 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.903 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.44 62.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.615 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.42 -49.92 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.888 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.56 -43.16 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.82 -41.1 87.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.742 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mm -52.44 -49.66 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.426 ' H ' HG22 ' B' ' 25' ' ' THR . 1.5 t -64.79 -37.39 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.413 -179.209 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.22 -39.0 88.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.37 -22.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.657 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.27 -35.6 58.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.493 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.0 mm? -76.28 -17.07 59.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.32 -41.49 98.91 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.579 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 32' ' ' LYS . 22.8 pttp -95.4 6.21 49.59 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 31' ' ' LYS . 6.7 ptmm? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.957 -1.02 . . . . 0.0 111.731 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 108.333 -0.988 . . . . 999.99 108.333 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.47 -32.39 81.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.415 -1.074 . . . . 113.42 110.415 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.13 81.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.703 -0.249 . . . . 70.04 111.459 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.08 -43.89 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.338 . . . . 185.23 110.398 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.4 mt -63.09 -39.29 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.186 -0.461 . . . . 626.12 110.936 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -17.13 0.13 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.062 -0.815 . . . . 97.27 111.062 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 57.8 mt -77.95 -34.18 51.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 115.07 110.689 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' ILE . 22.8 ttt -60.19 -63.66 1.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.003 -0.544 . . . . 137.76 110.718 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.49 -20.58 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.22 -0.446 . . . . 36.99 110.299 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -55.78 25.51 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.185 -0.766 . . . . 19.98 111.185 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.56 -36.82 79.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.627 -0.589 . . . . 11.76 111.627 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.05 -18.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.761 -0.258 . . . . 13.76 110.747 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 20' ' ' THR . 73.8 t -67.41 -22.28 28.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.392 0.615 . . . . 96.87 109.825 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -24.05 29.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.389 -0.823 . . . . 181.43 110.08 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.66 -58.71 7.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.428 -0.351 . . . . 4.78 110.993 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.2 t -52.56 -38.29 59.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 37.5 111.069 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.39 -50.7 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.645 -0.502 . . . . 46.75 109.645 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -56.1 -44.59 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.077 -0.712 . . . . 9.91 109.077 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 27' ' ' VAL . 98.2 t -65.93 -43.63 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.388 . . . . 18.24 111.165 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.7 mt -52.13 -49.22 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 121.018 -0.273 . . . . 125.6 111.52 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.74 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.259 -0.576 . . . . 39.62 110.14 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -42.17 98.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.793 -0.639 . . . . 76.83 109.663 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' VAL . 91.0 t -55.62 -23.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.654 0.264 . . . . 115.63 110.826 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtt -80.05 -34.86 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.981 0.42 . . . . 125.49 110.673 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.3 mt -78.49 -19.8 52.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 340.21 110.9 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -61.89 -41.49 97.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.759 -0.377 . . . . 572.02 110.983 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -95.75 11.58 33.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.851 -0.34 . . . . 600.75 110.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.053 -0.975 . . . . 999.99 110.705 179.168 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.334 -0.987 . . . . 999.99 108.334 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.42 81.62 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.38 -1.088 . . . . 113.38 110.38 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.14 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.683 -0.259 . . . . 68.65 111.487 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.05 -43.88 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.79 0.329 . . . . 186.84 110.376 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' B' ' 12' ' ' MET . 1.4 mt -63.06 -39.38 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.21 -0.45 . . . . 626.07 110.923 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.41 -17.15 0.12 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.004 -0.838 . . . . 97.5 111.004 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' B' ' 9' ' ' ILE . 57.4 mt -77.99 -34.17 51.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 115.59 110.716 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.485 ' N ' ' O ' ' B' ' 9' ' ' ILE . 22.9 ttt -60.11 -63.76 1.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.016 -0.538 . . . . 138.75 110.72 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.41 -20.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 36.63 110.357 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.4 -55.79 25.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.181 -0.768 . . . . 19.96 111.181 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.92 79.73 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.617 -0.593 . . . . 11.95 111.617 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.401 ' H ' HG23 ' B' ' 16' ' ' VAL . 16.8 t -49.08 -18.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.619 0.247 . . . . 13.83 110.747 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.453 ' O ' HG22 ' B' ' 20' ' ' THR . 73.6 t -67.54 -22.15 28.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 CA-C-O 121.356 0.598 . . . . 96.94 109.804 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.21 -24.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.386 -0.824 . . . . 179.5 110.032 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.63 -58.78 7.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.817 0.341 . . . . 4.79 111.005 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.3 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 37.72 111.022 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.38 -50.68 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.667 -0.494 . . . . 45.9 109.667 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -56.05 -44.61 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.082 -0.71 . . . . 9.85 109.082 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.433 ' O ' HG23 ' B' ' 27' ' ' VAL . 98.3 t -66.0 -43.63 92.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.304 -0.407 . . . . 17.83 111.144 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.16 -49.24 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 121.055 -0.258 . . . . 124.61 111.487 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.75 -37.75 88.66 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.207 -0.597 . . . . 39.27 110.129 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.81 -42.16 98.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.845 -0.616 . . . . 74.83 109.689 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 23' ' ' VAL . 90.6 t -55.62 -23.26 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.673 0.273 . . . . 115.25 110.787 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 36.4 mtt -80.12 -34.68 37.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.95 0.405 . . . . 125.65 110.679 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.61 -19.66 52.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 338.6 110.928 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -61.93 -41.55 98.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.815 -0.354 . . . . 565.7 110.945 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -95.73 11.6 32.91 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.865 -0.334 . . . . 597.86 110.468 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.033 -0.984 . . . . 999.99 110.677 179.224 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.27 95.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.54 96.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.688 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.17 -42.86 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' MET . 98.0 mt -61.81 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.69 0.09 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.5 mt -77.37 -36.18 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.809 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.3 ttt -59.53 -63.9 1.14 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.64 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.29 -20.32 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.01 15.35 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.57 -38.02 69.62 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 16' ' ' VAL . 14.2 t -47.11 -19.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.69 0.281 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' GLY . 82.0 t -66.94 -21.25 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-O 121.365 0.603 . . . . 0.0 109.818 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -25.79 38.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.33 -59.23 5.3 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.955 0.407 . . . . 0.0 111.839 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 -37.37 59.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.257 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 24' ' ' ILE . 70.5 t -61.87 -49.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.77 -44.67 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.37 -42.55 93.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.921 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 21' ' ' VAL . 20.9 mt -52.43 -49.64 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.267 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.46 -35.51 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.071 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.56 -23.46 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.699 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.1 mtt -77.31 -34.6 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 110.618 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.49 -17.54 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HZ1' ' NZ ' ' B' ' 30' ' ' LYS . 67.9 mttm -63.85 -42.22 97.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.596 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -96.18 5.1 51.81 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.944 0.402 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.671 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.45 96.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.53 96.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.726 0.298 . . . . 0.0 110.774 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.06 -42.84 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.618 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 12' ' ' MET . 98.2 mt -61.82 -43.26 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.531 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.76 0.09 OUTLIER Glycine 0 CA--C 1.527 0.822 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' B' ' 9' ' ' ILE . 52.4 mt -77.26 -36.3 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.793 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.497 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.4 ttt -59.49 -63.81 1.17 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.702 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.42 -20.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.75 -57.05 15.61 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.7 -37.86 70.14 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 t -47.19 -19.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.657 0.265 . . . . 0.0 110.577 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.87 -21.28 28.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 CA-C-O 121.423 0.63 . . . . 0.0 109.825 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.25 -25.74 38.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.29 -59.19 5.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.984 0.421 . . . . 0.0 111.904 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -37.25 61.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.139 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' B' ' 24' ' ' ILE . 70.2 t -61.88 -49.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.81 -44.51 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.53 -42.6 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.872 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' B' ' 21' ' ' VAL . 20.8 mt -52.52 -49.6 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.173 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.39 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.286 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.81 -39.76 95.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.09 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.57 -23.5 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.3 mtt -77.22 -34.62 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.949 0.404 . . . . 0.0 110.611 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.45 -17.57 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.647 ' NZ ' ' HZ1' ' A' ' 30' ' ' LYS . 67.9 mttm -63.84 -42.29 97.64 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.693 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -96.11 5.18 51.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.648 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 -29.05 70.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.52 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.7 -43.56 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -61.84 -42.96 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.43 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.72 -19.47 0.11 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' ILE . 47.2 mt -80.47 -33.73 36.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.6 ttt -61.45 -63.14 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.55 -19.22 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.478 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -65.15 -58.65 9.19 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -52.13 -38.69 48.7 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -45.75 -18.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.835 0.35 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 20' ' ' THR . 8.9 p -67.64 -25.76 33.72 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.2 mt -52.69 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.64 -55.62 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -47.68 -40.8 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' THR . 77.3 t -63.26 -51.16 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 25' ' ' THR . 73.4 mt -54.9 -47.16 76.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.68 -42.29 94.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.015 0.436 . . . . 0.0 110.212 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.54 -53.66 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.141 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 22' ' ' ILE . 1.8 t -60.63 -36.68 79.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.435 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.68 -39.39 93.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.4 -23.39 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.43 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.82 -36.06 62.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.2 mp -73.83 -20.93 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.701 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 65.8 mttm -63.32 -40.67 97.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -92.19 3.53 55.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.571 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -29.92 72.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.15 93.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.44 -43.25 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.825 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.3 mm -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.319 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.22 -19.5 0.13 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 9' ' ' ILE . 47.2 mt -80.3 -33.44 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.5 ttt -61.57 -63.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.63 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.43 -19.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.572 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.555 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.97 -58.71 9.2 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -52.02 -38.5 47.39 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -45.88 -18.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.81 0.338 . . . . 0.0 110.636 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.555 HG12 ' O ' ' B' ' 14' ' ' GLY . 9.1 p -67.78 -25.06 31.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 93.2 mt -53.4 -20.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.65 12.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.208 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.541 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -47.58 -41.14 20.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.3 t -63.23 -50.85 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.744 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' B' ' 25' ' ' THR . 75.5 mt -54.86 -47.36 75.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.72 -42.65 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 0.0 110.249 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -50.83 -53.99 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.147 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 22' ' ' ILE . 2.0 t -60.8 -36.03 77.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.21 0.319 . . . . 0.0 110.474 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.04 -39.66 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.1 -22.96 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.39 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -75.51 -36.5 60.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.455 HD12 ' N ' ' B' ' 29' ' ' LEU . 11.2 mp -73.45 -20.55 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 65.2 mttm -63.67 -41.39 98.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.762 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -91.32 3.53 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.608 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.85 -22.35 69.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.6 -29.45 16.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.72 0.295 . . . . 0.0 110.93 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.98 -43.17 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.78 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' MET . 2.3 pp -61.35 -39.18 81.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.792 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.5 -19.42 0.27 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 9' ' ' ILE . 57.9 mt -77.41 -35.35 54.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.457 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.8 ttt -59.69 -63.31 1.35 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.487 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.31 -19.23 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.14 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.9 -58.15 13.14 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.81 -38.2 72.57 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 16' ' ' VAL . 22.0 t -46.88 -19.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 122.614 -0.344 . . . . 0.0 110.906 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 20' ' ' THR . 92.6 t -68.53 -23.63 28.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-O 121.266 0.555 . . . . 0.0 110.582 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.6 -21.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.152 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.79 -54.18 30.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.184 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.3 t -51.31 -39.75 57.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.805 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.88 -49.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.87 -48.49 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.407 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.77 -42.33 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.824 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.18 -49.77 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.473 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.78 -36.36 84.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.521 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.61 -40.15 96.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.437 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.51 -23.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.789 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.9 mtt -76.32 -34.24 59.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 109.972 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -74.89 -19.8 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.498 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.23 -42.15 99.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.573 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -94.24 5.19 52.54 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.98 -22.26 69.17 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.76 -29.28 16.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.987 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.12 -43.19 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 12' ' ' MET . 2.3 pp -61.26 -39.29 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.816 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -19.29 0.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.1 mt -77.52 -35.28 53.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 110.419 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.496 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.8 ttt -59.67 -63.3 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.52 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.36 -19.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.22 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.11 13.26 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.83 -38.19 72.68 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -46.83 -19.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.547 -0.384 . . . . 0.0 110.937 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 20' ' ' THR . 92.3 t -68.62 -23.61 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 110.52 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.63 -21.03 6.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.155 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.68 -54.3 29.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 111.173 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.3 t -51.21 -39.76 57.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.928 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.85 -49.82 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.02 -48.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.396 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.71 -42.35 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.823 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.6 mt -53.14 -49.8 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.437 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.82 -36.33 83.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.476 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.51 -40.29 96.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.473 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.47 -23.93 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.758 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.6 mtt -76.38 -34.22 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.996 0.427 . . . . 0.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.94 -19.79 59.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.542 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.09 -42.1 99.55 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -94.35 5.13 52.73 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.896 0.379 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.71 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.75 -24.24 71.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 -31.11 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.532 0.206 . . . . 0.0 110.952 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.0 -43.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.869 0.366 . . . . 0.0 110.665 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' MET . 30.1 pt -61.16 -33.1 54.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.54 -17.73 0.28 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 9' ' ' ILE . 51.7 mt -79.05 -34.62 43.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.718 0.294 . . . . 0.0 110.867 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ILE . 27.7 ttt -60.85 -63.89 1.14 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.667 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.63 -20.36 21.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.0 22.52 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.72 -37.39 76.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -47.43 -19.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.59 0.233 . . . . 0.0 110.588 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' GLY . 93.0 t -67.04 -21.06 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.602 0.715 . . . . 0.0 109.734 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.68 -24.76 34.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.878 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.67 -58.99 5.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 111.897 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -37.1 61.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.649 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.84 -49.15 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -55.78 -44.55 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.3 t -66.16 -42.2 90.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.829 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.03 -50.81 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.126 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.82 -37.13 86.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 110.692 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.95 -39.18 91.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.03 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.47 -23.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.67 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmm -75.41 -36.66 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.32 -18.49 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.38 -42.69 96.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.789 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -95.78 3.36 53.86 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.502 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.88 -23.94 71.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.85 -31.15 23.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.504 0.192 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.97 -43.41 92.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 110.672 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' MET . 29.9 pt -61.2 -32.96 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.77 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.78 -17.58 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.443 ' N ' ' C ' ' B' ' 9' ' ' ILE . 51.3 mt -79.06 -34.67 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.444 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.8 ttt -60.75 -63.92 1.13 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.676 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.63 -20.41 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.06 22.16 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.71 -37.19 75.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 18.1 t -47.5 -19.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.578 0.228 . . . . 0.0 110.625 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 15' ' ' GLY . 93.3 t -67.08 -20.99 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 109.814 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.75 -24.66 34.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.88 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -59.01 5.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 111.862 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.414 ' H ' HG22 ' B' ' 20' ' ' THR . 0.7 OUTLIER -53.18 -37.04 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.696 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.9 -49.24 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.68 -44.54 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.3 -42.14 90.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.93 -50.92 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.123 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -63.81 -37.17 86.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.712 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.88 -39.26 91.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.975 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.42 -23.61 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 13.0 mmm -75.45 -36.81 60.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.17 -18.55 60.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.38 -42.66 96.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.772 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -95.66 3.23 54.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.534 -179.856 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.62 93.64 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.29 90.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.632 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.9 -43.06 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.599 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' MET . 96.9 mt -62.58 -42.8 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.392 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.74 -19.66 0.34 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 9' ' ' ILE . 52.4 mt -76.68 -32.37 57.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -64.31 -63.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -55.73 -20.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.94 -56.73 16.94 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.417 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.12 -40.72 67.56 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -46.99 -19.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 122.574 -0.368 . . . . 0.0 110.661 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.514 ' O ' HG22 ' A' ' 20' ' ' THR . 93.0 t -70.99 -25.73 26.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 CA-C-O 121.037 0.446 . . . . 0.0 110.357 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.0 -21.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.192 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -57.04 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 111.264 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.8 t -48.34 -40.59 25.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.794 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' A' ' 20' ' ' THR . 75.4 t -64.38 -51.8 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.343 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -52.49 -47.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG22 HG22 ' B' ' 23' ' ' VAL . 70.2 t -63.64 -44.94 98.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.458 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.53 -54.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.539 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 26' ' ' LEU . 4.9 t -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.87 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' HG23 ' A' ' 25' ' ' THR . 19.2 mt -52.78 -48.08 67.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.357 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 30' ' ' LYS . 54.5 t -49.58 -58.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.214 -0.594 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -43.7 -40.57 4.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.013 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.2 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 111.058 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 27' ' ' VAL . 98.2 mttt -82.16 -8.64 59.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -124.77 0.03 8.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.435 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.97 92.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.2 90.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.93 -43.05 89.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.597 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 12' ' ' MET . 96.9 mt -62.67 -42.96 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.508 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.49 -19.45 0.27 Allowed Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' B' ' 9' ' ' ILE . 51.8 mt -76.53 -33.19 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.984 0.421 . . . . 0.0 110.733 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.481 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -63.59 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.864 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -55.93 -20.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.9 -56.69 17.24 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.12 -40.68 67.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.42 ' H ' HG23 ' B' ' 16' ' ' VAL . 7.5 t -47.12 -19.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.645 -0.327 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.53 ' O ' HG22 ' B' ' 20' ' ' THR . 93.5 t -71.19 -25.5 25.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 121.069 0.462 . . . . 0.0 110.395 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 41.8 mm -56.34 -21.12 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.22 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -57.1 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.351 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.53 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -48.37 -40.55 26.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.417 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.0 t -64.35 -51.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.284 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.7 mt -52.47 -47.4 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 23' ' ' VAL . 72.2 t -63.75 -44.91 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.407 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.61 -53.9 22.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.503 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.441 HG23 ' N ' ' B' ' 26' ' ' LEU . 4.8 t -66.03 -41.23 91.21 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.918 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.441 ' N ' HG23 ' B' ' 25' ' ' THR . 19.2 mt -52.53 -48.08 66.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' B' ' 30' ' ' LYS . 54.9 t -49.66 -58.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.921 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.8 mtt -43.56 -40.62 4.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.986 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.419 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.26 60.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.712 0.291 . . . . 0.0 111.003 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 27' ' ' VAL . 98.2 mttt -82.02 -8.33 59.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -125.22 0.3 7.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.753 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.395 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.09 -22.92 72.79 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.07 -31.77 25.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.52 -43.61 90.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 12' ' ' MET . 27.9 pt -62.61 -34.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.81 -16.9 0.23 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.6 mt -79.68 -32.37 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.765 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.06 -63.61 1.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 -179.428 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.549 ' N ' ' SD ' ' A' ' 12' ' ' MET . 27.7 m -59.32 -21.01 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.648 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.47 -55.67 21.82 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.99 -39.46 68.98 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 t -46.45 -20.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.594 0.235 . . . . 0.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' A' ' 15' ' ' GLY . 97.3 t -68.09 -21.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 0.0 110.165 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -24.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.921 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -59.55 4.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.708 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.16 -35.97 62.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.43 -55.56 20.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-O 121.22 0.534 . . . . 0.0 110.041 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 25' ' ' THR . 67.4 mt -46.3 -39.83 3.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.1 -42.19 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.391 0.615 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -40.97 -51.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.659 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 22' ' ' ILE . 3.1 t -59.18 -37.72 78.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.776 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.46 -26.88 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.589 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.9 mtt -73.62 -35.0 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -76.11 -21.31 56.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HZ3' ' NZ ' ' B' ' 30' ' ' LYS . 68.4 mttm -67.33 -42.6 83.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.955 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.02 0.31 57.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.759 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.449 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.64 -23.23 73.82 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.9 -31.46 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.755 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.55 -43.59 90.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.444 ' C ' ' N ' ' B' ' 11' ' ' LEU . 27.5 pt -63.01 -34.36 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.616 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.98 -16.87 0.24 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.444 ' N ' ' C ' ' B' ' 9' ' ' ILE . 57.3 mt -79.76 -32.83 41.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 110.821 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -64.58 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.829 -179.433 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.545 ' N ' ' SD ' ' B' ' 12' ' ' MET . 27.9 m -59.48 -20.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.722 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.57 -55.59 22.07 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.8 -39.67 68.73 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.425 ' H ' HG23 ' B' ' 16' ' ' VAL . 13.2 t -46.25 -20.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.597 0.237 . . . . 0.0 110.672 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.66 -21.22 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.786 0.803 . . . . 0.0 110.127 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.38 -24.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.878 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.22 -59.52 4.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.685 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.17 -36.13 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.232 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.18 -55.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.22 0.534 . . . . 0.0 110.047 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.653 ' O ' HG22 ' B' ' 25' ' ' THR . 68.3 mt -46.74 -39.65 4.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.26 -42.2 94.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.298 0.571 . . . . 0.0 110.747 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.8 mt -40.9 -51.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.618 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 22' ' ' ILE . 3.2 t -59.25 -38.14 79.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.76 -39.6 94.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.551 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.9 -26.73 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.571 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.7 mtt -73.65 -34.9 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.24 -21.4 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.716 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.671 ' NZ ' ' HZ3' ' A' ' 30' ' ' LYS . 68.0 mttm -67.32 -42.33 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.29 0.31 57.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.509 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -29.42 24.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.653 0.263 . . . . 0.0 110.763 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.73 -43.6 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.666 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -63.66 -27.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.668 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.2 -20.65 7.06 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.91 -32.86 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.876 0.37 . . . . 0.0 110.673 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.09 -63.53 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.401 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -58.22 -20.78 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.32 -56.38 20.38 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.55 -38.89 72.64 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -46.86 -18.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.8 0.333 . . . . 0.0 110.72 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 20' ' ' THR . 95.4 t -69.93 -23.79 25.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 121.006 0.432 . . . . 0.0 110.213 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.97 -21.78 8.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -56.83 12.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.324 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.7 t -48.88 -41.26 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' A' ' 20' ' ' THR . 95.2 t -63.35 -50.57 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.139 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.6 -47.51 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.16 -43.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.994 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.91 -52.79 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.232 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -62.91 -37.46 87.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.752 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 30' ' ' LYS . 11.5 mt -61.47 -43.18 99.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 78.2 t -54.65 -69.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.231 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.83 -36.1 11.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.804 0.335 . . . . 0.0 110.699 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt -78.63 -20.97 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.807 0.337 . . . . 0.0 110.462 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' LEU . 28.9 ttmt -62.5 -44.3 96.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.191 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -100.98 12.92 36.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.569 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.91 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.07 -29.46 24.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.672 0.273 . . . . 0.0 110.786 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.637 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -63.72 -27.25 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.673 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.4 -20.49 7.3 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.6 mt -77.08 -32.66 56.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.0 110.639 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' B' ' 12' ' ' MET . 0.4 OUTLIER -64.25 -63.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.312 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.41 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.8 m -58.21 -20.81 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.37 -56.33 20.55 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.49 -38.99 72.29 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -46.88 -18.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.655 -0.321 . . . . 0.0 110.654 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 20' ' ' THR . 95.4 t -70.01 -23.74 25.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.016 0.436 . . . . 0.0 110.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.91 -21.85 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.208 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.92 11.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.7 t -48.73 -41.3 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.741 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' B' ' 20' ' ' THR . 92.5 t -63.34 -50.49 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.135 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.67 -47.44 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.28 -43.53 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.923 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.96 -52.64 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.28 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.404 ' H ' HG22 ' B' ' 25' ' ' THR . 1.7 t -63.06 -37.38 86.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.705 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' B' ' 30' ' ' LYS . 11.4 mt -61.59 -43.25 99.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.243 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LYS . 76.9 t -54.5 -69.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.239 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.85 -35.94 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.645 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.75 -21.13 48.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.847 0.356 . . . . 0.0 110.45 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' B' ' 26' ' ' LEU . 28.9 ttmt -62.4 -44.12 97.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -101.28 12.95 36.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.462 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.55 -22.43 69.69 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.52 -28.63 28.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.47 -44.09 87.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.937 0.399 . . . . 0.0 110.684 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 pt -59.71 -36.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.44 -22.91 4.05 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -77.84 -34.36 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.3 ttt -62.91 -63.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.605 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.08 -21.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.393 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.24 -56.21 21.57 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -55.03 -39.46 69.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 t -45.92 -16.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.712 0.291 . . . . 0.0 110.855 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 20' ' ' THR . 88.1 t -70.65 -23.23 24.0 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.24 -21.72 6.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.151 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.0 -57.44 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.265 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.9 t -47.93 -40.96 23.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' N ' ' CG2' ' A' ' 20' ' ' THR . 96.2 t -64.96 -51.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -51.39 -47.99 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.508 HG22 HG22 ' B' ' 23' ' ' VAL . 76.4 t -62.86 -45.51 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.424 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.93 -55.28 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.822 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.25 -39.2 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.969 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.08 -47.91 83.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.223 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.4 t -50.41 -64.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.989 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.7 mtt -45.3 -37.76 5.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.624 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.42 -32.28 66.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' VAL . 47.9 mttp -66.45 -42.85 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.908 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.48 0.11 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.5 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.31 -22.68 69.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.14 -28.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.694 0.283 . . . . 0.0 110.772 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.46 -44.02 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.644 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 12' ' ' MET . 16.7 pt -59.73 -36.92 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.3 -22.77 3.73 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -78.15 -33.68 50.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.559 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 9' ' ' ILE . 11.6 ttt -63.46 -63.54 1.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -59.14 -21.49 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.05 22.7 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.03 -39.48 69.46 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.7 t -45.95 -16.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.506 ' O ' HG22 ' B' ' 20' ' ' THR . 83.9 t -70.58 -23.17 24.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -54.34 -21.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.255 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -57.33 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.358 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -48.1 -41.05 25.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.426 ' N ' ' CG2' ' B' ' 20' ' ' THR . 97.0 t -64.69 -51.47 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.146 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.43 -47.86 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.508 HG22 HG22 ' A' ' 23' ' ' VAL . 74.2 t -63.07 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.503 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.8 -55.31 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.1 t -64.3 -39.18 93.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.948 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.11 -47.91 83.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.312 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 30' ' ' LYS . 63.9 t -50.5 -64.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.958 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.6 mtt -45.22 -37.82 4.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.36 -32.29 66.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 0.0 110.967 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' B' ' 27' ' ' VAL . 47.9 mttp -66.35 -42.63 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.963 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.73 0.23 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.635 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.37 -33.29 80.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.38 83.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.699 0.285 . . . . 0.0 110.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.5 -42.91 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 110.692 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 35.0 mm -61.78 -43.33 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.39 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.66 -20.02 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.4 mt -76.88 -36.04 57.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.906 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' ILE . 26.7 ttt -59.72 -64.0 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.739 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.92 -20.76 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -64.45 -61.43 5.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.76 -38.81 74.55 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' MET . 92.0 t -45.56 -19.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.347 . . . . 0.0 110.607 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 14' ' ' GLY . 84.2 t -62.14 -18.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.601 0.715 . . . . 0.0 110.18 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.17 -31.28 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.2 -60.77 3.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.905 0.383 . . . . 0.0 111.34 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -52.61 -38.8 60.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.303 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.8 -51.06 77.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.31 -44.28 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.32 -42.45 93.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.021 0.439 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.12 -50.72 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.418 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.32 -35.84 82.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.68 -39.35 91.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.38 -22.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmm -76.43 -37.17 57.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.1 -16.9 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.474 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.75 -41.89 97.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.88 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -91.74 6.45 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.609 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.697 -179.654 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.45 82.72 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.59 82.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.69 0.281 . . . . 0.0 110.609 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.44 -42.85 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 11' ' ' LEU . 35.2 mm -61.67 -43.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.78 -19.85 0.07 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.8 mt -77.02 -36.16 56.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.964 0.411 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.1 ttt -59.36 -63.89 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.625 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.39 -20.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.533 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.462 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -64.51 -61.42 5.98 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -55.93 -38.75 76.07 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 12' ' ' MET . 83.4 t -45.59 -19.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.977 0.417 . . . . 0.0 110.644 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 14' ' ' GLY . 88.3 t -62.14 -18.69 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.562 0.696 . . . . 0.0 110.123 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 tt -63.35 -31.05 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.01 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.315 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -52.59 -38.75 60.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.91 -50.9 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.075 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.3 -44.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.32 -42.46 93.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.964 0.411 . . . . 0.0 110.577 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.11 -50.73 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.459 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.42 HG22 ' H ' ' B' ' 25' ' ' THR . 2.1 t -64.42 -35.9 82.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.968 0.413 . . . . 0.0 110.51 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.48 -39.58 91.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.031 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.38 -22.13 26.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.559 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmm -76.27 -37.16 57.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.06 -17.25 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.523 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.58 -41.85 98.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.872 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -91.87 6.32 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.862 -1.065 . . . . 0.0 110.599 -179.73 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.92 -32.64 80.58 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.53 79.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.656 0.265 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.87 -42.68 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 36.5 mm -57.36 -45.11 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.482 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.29 -19.01 0.12 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.3 mt -84.3 -36.36 22.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.595 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.09 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 -179.388 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -61.18 -21.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.489 . . . . 0.0 110.699 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -64.42 -54.06 31.81 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.536 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -56.53 -38.64 81.77 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 16' ' ' VAL . 21.3 t -44.7 -16.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 O-C-N 122.767 -0.255 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 14' ' ' GLY . 8.2 p -67.99 -19.29 24.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-O 121.917 0.865 . . . . 0.0 110.362 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.86 -23.74 30.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -59.2 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.059 0.457 . . . . 0.0 111.918 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.4 t -53.58 -36.79 62.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -54.4 31.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.86 -41.63 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -69.28 -44.16 80.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -49.55 -53.33 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.144 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -60.58 -43.32 97.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.46 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.32 -39.67 73.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.144 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.89 -24.68 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.601 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.1 mmm -74.1 -39.68 63.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.02 -21.06 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.627 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HE3' ' HZ1' ' B' ' 30' ' ' LYS . 67.0 mttm -70.34 -42.2 72.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.979 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -92.89 -3.97 53.66 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 117.558 -1.21 . . . . 0.0 110.701 -179.539 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -33.47 81.19 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.04 77.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.732 0.301 . . . . 0.0 110.695 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.19 -42.9 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' B' ' 12' ' ' MET . 38.1 mm -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.81 -18.9 0.14 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.3 mt -84.12 -35.8 23.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 110.594 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -61.95 -64.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.687 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.2 m -61.13 -21.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.053 0.454 . . . . 0.0 110.669 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.505 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.83 -53.91 31.53 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.51 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -56.43 -38.5 80.05 Favored Glycine 0 C--O 1.225 -0.447 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -44.94 -16.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.626 0.251 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.505 HG12 ' O ' ' B' ' 14' ' ' GLY . 7.3 p -67.73 -19.2 24.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.832 0.825 . . . . 0.0 110.439 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.74 -23.88 30.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -59.22 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.897 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -53.84 -36.87 63.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.98 -54.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.031 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.59 -41.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.17 -44.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.844 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.7 -53.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.174 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -60.54 -42.97 97.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 110.396 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.56 -39.71 73.93 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.055 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.63 -24.84 35.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.509 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.2 mmm -73.95 -39.6 63.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 0.0 110.646 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -70.33 -20.99 62.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.676 ' HZ1' ' HE3' ' A' ' 30' ' ' LYS . 67.1 mttm -70.36 -41.7 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -93.62 -4.02 51.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.702 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 117.577 -1.201 . . . . 0.0 110.741 -179.526 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.13 74.05 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.25 -32.74 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.635 0.255 . . . . 0.0 110.768 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.17 -43.72 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.784 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' MET . 23.0 pt -58.97 -33.12 49.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.3 0.52 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.9 mt -80.86 -31.19 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ILE . 25.3 ttt -64.57 -63.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -58.97 -20.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.55 -56.88 14.66 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.65 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -53.59 -39.24 60.16 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -47.0 -19.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 O-C-N 122.621 -0.341 . . . . 0.0 110.465 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 20' ' ' THR . 94.1 t -69.61 -21.86 24.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 122.153 0.978 . . . . 0.0 110.12 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 18' ' ' ILE . 38.0 mm -59.71 -18.81 15.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.091 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -56.64 5.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -50.42 -45.07 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.582 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 22' ' ' ILE . 2.7 p -60.49 -47.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.437 ' N ' HG13 ' A' ' 21' ' ' VAL . 65.4 mt -55.01 -43.98 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.44 -40.8 85.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.059 0.457 . . . . 0.0 110.431 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.32 -50.12 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.089 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -63.8 -36.29 83.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.007 0.432 . . . . 0.0 110.006 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.81 -39.59 94.6 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.401 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.38 -22.6 28.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -33.36 42.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.633 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.39 -19.74 59.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.95 -41.59 97.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.635 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.17 4.63 52.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.513 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 tttm . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.85 -26.93 73.79 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.32 -31.97 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.743 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.8 -43.6 93.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.669 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' B' ' 12' ' ' MET . 23.2 pt -59.25 -33.55 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.648 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.76 -19.13 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.6 mt -80.86 -31.47 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.689 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.465 ' N ' ' O ' ' B' ' 9' ' ' ILE . 24.5 ttt -64.47 -63.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.9 m -58.96 -19.89 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.5 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.74 -56.91 14.05 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -53.53 -39.43 60.21 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.403 ' H ' HG23 ' B' ' 16' ' ' VAL . 10.6 t -47.0 -19.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.63 -0.336 . . . . 0.0 110.534 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 15' ' ' GLY . 97.3 t -69.66 -21.89 24.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-O 122.145 0.974 . . . . 0.0 110.1 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' B' ' 18' ' ' ILE . 37.9 mm -59.55 -18.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.18 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.88 -56.47 5.15 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER -50.41 -44.36 55.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.536 -179.185 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.438 HG13 ' N ' ' B' ' 22' ' ' ILE . 2.8 p -60.99 -47.37 93.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.438 ' N ' HG13 ' B' ' 21' ' ' VAL . 64.2 mt -55.09 -44.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.21 -40.44 85.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.0 0.429 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 mm -52.73 -50.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.92 -35.99 82.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.093 0.473 . . . . 0.0 110.037 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.99 -39.85 95.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.408 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.27 -22.79 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.0 mtt -78.99 -33.43 45.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -75.48 -20.27 58.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.39 -41.51 98.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.591 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' H ' ' B' ' 31' ' ' LYS . 0.5 OUTLIER -92.18 4.83 52.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.676 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.504 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.0 pttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.76 -25.91 68.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.12 -32.44 24.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.469 0.176 . . . . 0.0 111.297 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.72 -43.34 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' MET . 34.2 pt -62.21 -35.79 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.076 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.52 -19.71 0.3 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 9' ' ' ILE . 59.4 mt -73.37 -36.36 66.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.095 0.474 . . . . 0.0 110.431 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -59.71 -63.26 1.37 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.538 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' N ' ' SD ' ' A' ' 12' ' ' MET . 33.8 m -62.17 -20.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -63.83 -61.27 6.32 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.02 -38.55 86.16 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.352 -0.451 . . . . 0.0 112.132 -178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.8 t -46.4 -19.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 15' ' ' GLY . 76.4 t -60.97 -19.2 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.751 0.786 . . . . 0.0 109.692 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 18' ' ' ILE . 10.4 tp -62.3 -34.0 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.54 -59.82 4.18 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.91 -37.61 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.49 -49.2 85.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.47 -45.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.366 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.7 -41.94 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 110.838 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.7 mt -53.83 -48.76 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.308 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -65.72 -36.59 84.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.698 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.09 -39.17 88.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.254 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.73 -22.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.715 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -73.96 -36.69 64.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.081 0.467 . . . . 0.0 109.95 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.9 mm? -76.82 -18.99 58.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.71 -41.69 95.83 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.411 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -92.5 4.67 53.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.1 -0.953 . . . . 0.0 110.338 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.84 -25.9 68.37 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.15 -32.42 24.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.231 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.76 -43.4 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' B' ' 12' ' ' MET . 33.7 pt -62.11 -35.92 71.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.48 -19.69 0.29 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' B' ' 9' ' ' ILE . 59.2 mt -73.42 -36.32 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.043 0.449 . . . . 0.0 110.389 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.4 OUTLIER -59.75 -63.22 1.38 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.504 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.438 ' N ' ' SD ' ' B' ' 12' ' ' MET . 33.7 m -62.17 -20.77 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.419 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -63.73 -61.4 6.23 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.01 -38.53 86.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.057 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -46.39 -19.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.806 0.336 . . . . 0.0 111.052 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 14' ' ' GLY . 74.1 t -60.91 -19.18 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 109.675 179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 tp -62.34 -33.93 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.941 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -59.76 4.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.99 -37.55 69.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.48 -49.23 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.7 mt -56.43 -45.85 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.444 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.83 -41.77 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.584 0.23 . . . . 0.0 110.846 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mt -54.02 -48.65 63.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.27 -178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 25' ' ' THR . 1.7 t -65.78 -36.59 83.97 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.654 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.11 -39.09 88.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.86 -22.8 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.673 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -74.06 -36.78 64.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.862 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 29' ' ' LEU . 3.8 mm? -76.72 -18.92 58.22 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.81 -41.71 95.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.366 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -92.49 4.65 53.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.313 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.9 96.88 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.79 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.501 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.84 -55.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.671 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 12' ' ' MET . 37.2 mm -63.37 -48.9 85.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.872 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.43 -53.87 4.11 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.29 -21.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.618 0.246 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 22.3 ttt -41.82 -57.12 2.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.362 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' VAL . 10.8 m -55.98 -41.61 68.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.702 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 13' ' ' VAL . . . -30.54 -51.45 0.21 Allowed Glycine 0 CA--C 1.527 0.805 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.496 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.12 -39.33 80.18 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.028 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 34.0 t -47.26 -17.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 122.6 -0.353 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 20' ' ' THR . 94.9 t -69.18 -22.42 25.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.361 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.02 -19.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.129 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -55.08 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.6 t -51.41 -39.62 57.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.082 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.72 -50.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 109.714 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.72 -45.77 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.68 -42.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.76 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.81 -53.18 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.978 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.87 -38.87 89.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.29 -39.79 88.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.5 t -62.24 -25.19 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.704 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.58 -39.81 57.54 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.857 0.36 . . . . 0.0 111.248 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 29' ' ' LEU . 9.8 mp -81.84 -18.6 43.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.684 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HZ3' ' HG2' ' B' ' 30' ' ' LYS . 13.0 mtpp -76.31 -23.07 54.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.003 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.5 2.1 44.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.919 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.388 179.722 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.46 -38.43 96.34 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.16 -55.01 39.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.84 -55.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.622 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' B' ' 12' ' ' MET . 37.7 mm -63.31 -48.82 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.907 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.35 -53.85 4.05 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -46.26 -21.93 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.713 0.292 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' B' ' 9' ' ' ILE . 21.6 ttt -41.83 -57.11 2.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.416 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' VAL . 10.8 m -56.11 -41.42 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.813 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.454 ' N ' HG23 ' B' ' 13' ' ' VAL . . . -30.56 -51.18 0.21 Allowed Glycine 0 CA--C 1.527 0.838 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.437 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.3 -39.58 82.73 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.137 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 13' ' ' VAL . 36.3 t -47.02 -17.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.562 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.478 ' O ' HG22 ' B' ' 20' ' ' THR . 94.7 t -69.21 -22.51 25.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-O 121.315 0.579 . . . . 0.0 110.345 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.08 -20.03 5.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.012 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -55.26 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.238 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.478 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.6 t -51.21 -39.45 56.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.66 -50.24 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 109.692 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.5 mt -53.78 -45.71 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.7 -42.64 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.816 0.341 . . . . 0.0 110.75 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.96 -53.1 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.04 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.85 -38.93 90.04 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.24 -39.82 88.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.26 -24.96 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.65 -39.65 57.34 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.486 HD12 ' N ' ' B' ' 29' ' ' LEU . 9.8 mp -82.11 -18.27 43.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.68 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.529 ' HG2' ' HZ3' ' A' ' 30' ' ' LYS . 13.0 mtpp -76.66 -22.64 53.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.92 2.2 43.47 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.943 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.466 179.743 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.47 93.31 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.46 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.682 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.96 -42.54 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.96 -43.13 98.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.69 2.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -76.74 -30.18 56.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.264 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.37 -63.65 1.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.04 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.51 -19.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -62.47 -57.2 17.6 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.37 -36.38 76.22 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.725 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.5 t -46.91 -17.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 122.542 -0.387 . . . . 0.0 111.02 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 14' ' ' GLY . 8.6 p -67.87 -24.43 30.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-O 121.22 0.533 . . . . 0.0 110.641 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.75 -22.61 6.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.84 -55.98 21.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.141 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.6 t -49.78 -39.91 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.92 -50.36 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.9 mt -55.31 -50.06 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.86 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.535 HG22 HG22 ' B' ' 23' ' ' VAL . 90.6 t -63.42 -44.19 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.489 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.9 mt -57.63 -51.34 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.768 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -71.06 -36.72 72.41 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.772 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.7 mt -51.37 -49.11 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.821 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -47.7 -56.21 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.569 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.33 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.61 -23.37 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.524 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 26' ' ' LEU . 56.7 tttt -62.33 -40.54 96.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.6 15.14 26.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.472 179.166 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.05 -36.33 93.12 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.23 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.11 -42.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.499 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.87 -43.09 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.731 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.64 -18.67 2.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -76.9 -30.02 56.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.855 0.36 . . . . 0.0 110.256 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.32 -63.62 1.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.59 -19.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.206 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.53 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -62.37 -57.28 17.41 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -57.47 -36.38 76.94 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.3 t -46.85 -17.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 122.582 -0.363 . . . . 0.0 110.997 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' B' ' 14' ' ' GLY . 8.8 p -67.96 -24.31 30.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-O 121.284 0.564 . . . . 0.0 110.687 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.88 -22.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.007 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.88 -55.95 21.65 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.499 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.6 t -49.85 -39.93 40.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.8 -50.35 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.853 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.42 -49.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 23' ' ' VAL . 92.0 t -63.52 -44.26 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.475 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.62 -51.28 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.721 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -71.18 -36.61 72.02 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.697 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 30' ' ' LYS . 12.7 mt -51.37 -49.05 62.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.844 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -47.72 -56.27 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.457 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.36 -40.24 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.179 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.57 -23.31 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.513 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' B' ' 26' ' ' LEU . 56.2 tttt -62.24 -40.72 97.08 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.41 14.98 26.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.361 179.187 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.01 98.16 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.49 64.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.426 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -40.92 -53.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.87 -47.01 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.006 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -39.08 -49.92 2.72 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 11' ' ' LEU . 58.0 mt -41.94 -22.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' GLY . 24.5 ttt -49.96 -62.5 1.53 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.979 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 10' ' ' GLY . 6.5 m -62.56 -18.74 21.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.342 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -64.12 -55.43 23.98 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.628 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.21 -33.09 51.67 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.9 t -49.5 -17.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.704 0.288 . . . . 0.0 110.658 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 20' ' ' THR . 8.1 p -67.47 -26.38 35.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-O 121.09 0.471 . . . . 0.0 110.611 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mm -53.76 -19.08 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.66 -54.71 23.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.193 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -49.83 -41.5 45.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' THR . 81.1 t -63.36 -50.45 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -54.81 -46.67 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG22 HG22 ' B' ' 23' ' ' VAL . 94.2 t -65.19 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.705 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.87 -51.31 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.07 -37.7 88.41 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.842 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.73 -43.16 98.24 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.45 -22.97 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.962 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.9 mmm -80.31 -44.08 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -79.49 -8.67 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.613 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -83.91 -20.53 32.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.147 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -107.71 3.35 24.53 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.733 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.23 98.99 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.37 -52.68 64.19 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -41.07 -53.5 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.468 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.83 -47.4 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.009 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.496 ' O ' HG22 ' B' ' 13' ' ' VAL . . . -38.8 -49.73 2.53 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.07 -22.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.556 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.466 ' N ' ' O ' ' B' ' 10' ' ' GLY . 24.8 ttt -50.19 -62.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.895 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 10' ' ' GLY . 6.4 m -62.6 -18.76 21.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.315 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.444 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.05 -55.24 25.31 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -54.49 -33.28 53.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -49.3 -17.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.675 0.274 . . . . 0.0 110.66 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.502 ' O ' HG22 ' B' ' 20' ' ' THR . 8.3 p -67.43 -26.26 35.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-O 121.142 0.496 . . . . 0.0 110.687 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.7 mm -53.82 -19.3 2.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.109 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.47 -54.8 23.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.502 HG22 ' O ' ' B' ' 17' ' ' VAL . 2.1 t -49.78 -41.54 44.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 20' ' ' THR . 86.2 t -63.21 -50.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.082 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 80.5 mt -54.83 -46.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 23' ' ' VAL . 93.6 t -65.08 -41.98 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.96 -51.23 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.993 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.14 -37.71 88.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.721 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.182 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.42 -23.03 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.881 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 26.5 mmm -80.29 -43.96 20.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.31 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.411 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.2 mm? -79.58 -8.79 59.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.625 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -83.81 -20.73 32.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.147 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -107.48 3.46 25.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.446 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptp . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.09 74.57 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.63 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.664 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -43.61 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.432 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.62 -25.95 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.47 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.74 -22.29 25.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.28 -29.93 57.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -67.06 -63.26 1.1 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.94 -21.23 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -62.62 -59.68 8.92 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -51.65 -40.0 47.22 Favored Glycine 0 C--O 1.224 -0.496 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 t -46.39 -16.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 122.47 -0.429 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 20' ' ' THR . 4.1 p -74.0 -28.03 23.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.8 mm -52.65 -19.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 O-C-N 123.836 0.71 . . . . 0.0 110.103 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.95 -58.25 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 17' ' ' VAL . 3.9 t -46.99 -40.35 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.433 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.444 ' N ' ' CG2' ' A' ' 20' ' ' THR . 94.4 t -67.04 -53.29 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.378 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -45.67 -49.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG22 HG22 ' B' ' 23' ' ' VAL . 58.6 t -63.57 -46.75 94.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.184 0.516 . . . . 0.0 110.395 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.07 -59.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 25' ' ' THR . 1.7 t -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.621 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 33.2 mt -57.93 -51.16 70.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.899 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.53 -60.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 123.328 0.392 . . . . 0.0 110.457 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.5 mtm -54.72 -38.41 67.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.596 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.66 -21.77 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.19 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . 39.4 tttm -63.96 -41.19 97.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -104.16 18.15 22.67 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.355 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.516 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.4 tptp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 -23.65 74.09 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.25 -34.48 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.705 0.288 . . . . 0.0 110.72 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.36 -43.81 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 pt -64.61 -26.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.99 -22.17 19.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.5 mt -76.06 -30.55 58.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.5 ttt -66.67 -63.28 1.1 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 m -56.69 -21.34 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.507 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -62.75 -59.58 8.99 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -51.49 -40.09 46.18 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 t -46.5 -16.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.969 0.414 . . . . 0.0 110.714 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.507 HG12 ' O ' ' B' ' 14' ' ' GLY . 4.2 p -73.36 -28.05 24.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.27 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' B' ' 18' ' ' ILE . 45.3 mm -52.64 -19.55 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.816 0.697 . . . . 0.0 110.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.3 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 17' ' ' VAL . 3.7 t -46.87 -41.02 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 20' ' ' THR . 95.7 t -66.25 -53.36 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.268 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -45.83 -49.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.938 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 23' ' ' VAL . 59.8 t -63.37 -46.52 95.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.119 0.485 . . . . 0.0 110.42 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.14 -59.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -60.41 -41.43 93.88 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' B' ' 30' ' ' LYS . 31.2 mt -58.2 -51.18 70.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.888 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -47.44 -60.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.233 0.333 . . . . 0.0 110.349 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 78.6 mtm -54.98 -38.15 67.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.88 -21.96 43.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' B' ' 26' ' ' LEU . 38.9 tttm -63.71 -41.36 98.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.254 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -103.86 18.08 22.73 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.579 -179.865 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -34.5 90.11 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.67 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.721 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.4 mt -70.23 -44.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.828 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.48 -43.05 98.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.432 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 12' ' ' MET . . . -37.02 -47.65 1.35 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 14' ' ' GLY . 62.8 mt -44.23 -21.59 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.833 0.349 . . . . 0.0 110.771 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' GLY . 25.4 ttt -42.88 -51.4 5.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.316 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -67.93 -21.5 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.603 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.96 -51.04 61.08 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.62 -32.53 69.43 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.17 -16.69 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.863 0.363 . . . . 0.0 110.659 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' ALA . 57.5 t -64.72 -53.57 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.14 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG22 HG13 ' A' ' 22' ' ' ILE . 96.3 mt -41.82 -19.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.77 0.319 . . . . 0.0 110.811 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.64 -55.34 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 21' ' ' VAL . 6.4 t -58.32 -41.96 85.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.139 0.495 . . . . 0.0 110.485 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 20' ' ' THR . 79.5 t -59.62 -49.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.01 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.449 HG13 HG22 ' A' ' 18' ' ' ILE . 79.0 mt -54.08 -33.54 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.921 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.516 HG22 HG22 ' B' ' 23' ' ' VAL . 58.4 t -77.31 -48.52 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.1 mt -51.91 -48.61 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 26' ' ' LEU . 8.2 t -66.62 -45.66 78.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' N ' HG23 ' A' ' 25' ' ' THR . 30.2 mt -58.98 -39.25 81.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.075 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG22 ' NZ ' ' B' ' 30' ' ' LYS . 32.5 t -56.33 -49.19 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.064 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LYS . 67.4 mtt -58.69 -32.08 68.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.765 0.317 . . . . 0.0 110.601 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.7 mt -79.7 -14.68 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 95.4 mttt -86.64 -9.92 54.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.674 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.62 18.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' MET . 64.8 tttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.487 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.75 90.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.26 97.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.625 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.82 -44.13 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.766 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.32 -42.85 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.236 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -37.02 -47.92 1.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' GLY . 61.1 mt -44.09 -21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.702 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 10' ' ' GLY . 25.2 ttt -42.84 -51.24 5.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.11 -21.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.06 0.457 . . . . 0.0 110.585 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.62 -50.97 61.78 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.59 -32.45 69.15 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -66.59 -16.88 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' ALA . 58.5 t -64.35 -53.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.158 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.464 HG22 HG13 ' B' ' 22' ' ' ILE . 96.1 mt -42.14 -19.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.726 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.94 -55.08 22.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.19 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.468 HG23 ' N ' ' B' ' 21' ' ' VAL . 6.1 t -58.23 -41.91 85.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.167 0.508 . . . . 0.0 110.397 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.468 ' N ' HG23 ' B' ' 20' ' ' THR . 75.9 t -59.89 -49.57 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.464 HG13 HG22 ' B' ' 18' ' ' ILE . 79.0 mt -54.08 -32.95 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.907 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 23' ' ' VAL . 59.6 t -77.58 -48.76 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.923 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.82 -48.71 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.856 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.539 HG23 ' N ' ' B' ' 26' ' ' LEU . 7.9 t -66.29 -45.71 79.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.597 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.539 ' N ' HG23 ' B' ' 25' ' ' THR . 29.4 mt -59.14 -39.27 81.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.179 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.57 HG22 ' NZ ' ' A' ' 30' ' ' LYS . 32.6 t -56.24 -49.38 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.979 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -58.55 -31.91 68.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.661 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.92 -14.85 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.648 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 95.3 mttt -86.56 -9.67 55.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.628 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.02 19.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.525 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.22 -33.42 75.16 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.02 82.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.615 0.245 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.54 -43.68 83.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.943 0.401 . . . . 0.0 110.725 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.64 -42.73 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.151 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.19 -52.77 1.65 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' GLY . 59.0 mt -45.08 -23.53 0.16 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.549 0.214 . . . . 0.0 111.238 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.25 -53.5 6.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.54 -21.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.527 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.2 -50.79 63.78 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.08 -33.84 81.19 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.94 -17.08 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.926 0.393 . . . . 0.0 110.716 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' ALA . 98.8 t -63.09 -52.21 61.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.396 -0.522 . . . . 0.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.408 HG22 HG13 ' A' ' 22' ' ' ILE . 96.3 mt -41.17 -20.78 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.115 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.842 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.21 -55.72 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 5.8 t -57.91 -41.83 83.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 20' ' ' THR . 72.2 t -59.99 -48.7 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.745 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG13 HG22 ' A' ' 18' ' ' ILE . 84.9 mt -54.7 -36.99 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.723 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 27' ' ' VAL . 59.7 t -73.41 -48.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.0 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -52.48 -48.46 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.355 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 26' ' ' LEU . 7.1 t -67.55 -44.0 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.498 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' N ' HG23 ' A' ' 25' ' ' THR . 32.2 mt -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.648 HG22 ' NZ ' ' B' ' 30' ' ' LYS . 37.8 t -54.26 -55.23 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.951 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.9 mtt -52.82 -30.86 35.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.752 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.8 -17.15 48.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.582 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.667 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 96.5 mttt -86.05 -13.49 47.23 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.771 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.59 15.13 2.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.523 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.57 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.21 -33.44 75.2 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.05 82.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.645 0.26 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.55 -43.59 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.711 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.64 -42.74 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.141 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.28 -52.6 1.7 Allowed Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 14' ' ' GLY . 59.7 mt -45.24 -23.44 0.18 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.617 0.246 . . . . 0.0 111.345 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.49 -53.27 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.119 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.83 -21.76 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.227 0.537 . . . . 0.0 110.275 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.14 -50.92 62.44 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -33.78 80.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.14 -17.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' B' ' 19' ' ' ALA . 94.9 t -63.07 -52.23 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.769 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.42 HG22 HG13 ' B' ' 22' ' ' ILE . 96.3 mt -41.12 -20.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.772 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.13 -55.73 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.906 0.384 . . . . 0.0 110.033 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.438 HG23 ' N ' ' B' ' 21' ' ' VAL . 5.8 t -57.87 -41.85 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.582 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.438 ' N ' HG23 ' B' ' 20' ' ' THR . 69.3 t -59.98 -48.81 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.846 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.42 HG13 HG22 ' B' ' 18' ' ' ILE . 85.0 mt -54.54 -36.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.673 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.486 ' O ' HG23 ' B' ' 27' ' ' VAL . 61.8 t -73.5 -48.33 41.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.05 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -52.49 -48.35 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.428 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 26' ' ' LEU . 6.9 t -67.54 -44.03 79.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.522 ' N ' HG23 ' B' ' 25' ' ' THR . 32.9 mt -60.47 -41.4 94.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.587 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.641 HG22 ' NZ ' ' A' ' 30' ' ' LYS . 37.7 t -54.2 -55.23 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.053 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -52.72 -30.98 35.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.732 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.72 -17.33 48.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.667 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 96.5 mttt -85.8 -13.64 47.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.27 14.83 2.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.556 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.73 -30.95 73.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.79 90.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 110.666 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.5 -43.12 91.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -62.29 -42.84 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.341 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.29 -20.29 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ILE . 54.4 mt -77.87 -34.37 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.812 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.3 ttt -61.17 -63.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.676 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.62 -20.87 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.02 -56.6 19.82 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.75 -39.16 75.73 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -47.24 -18.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.596 -0.355 . . . . 0.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' THR . 99.1 t -70.55 -23.69 24.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 CA-C-O 121.261 0.553 . . . . 0.0 110.24 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.82 -21.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -56.84 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.371 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -48.97 -41.11 33.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.784 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' THR . 70.4 t -63.89 -50.64 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.085 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.5 -47.35 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 HG22 ' B' ' 23' ' ' VAL . 74.8 t -63.11 -44.18 99.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.498 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.16 -52.53 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.097 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -67.96 -36.9 80.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.189 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.269 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.0 t -48.94 -60.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.955 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -54.36 -37.86 65.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.412 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.64 -32.67 71.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -64.49 -44.14 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -101.07 4.64 42.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.605 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.43 76.51 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.61 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.7 0.286 . . . . 0.0 110.721 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.38 -43.22 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.644 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.2 mm -62.35 -42.8 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.354 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.21 -20.27 0.28 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' B' ' 9' ' ' ILE . 56.0 mt -77.72 -34.88 52.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.906 0.384 . . . . 0.0 110.798 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.4 ttt -60.94 -63.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.2 m -58.46 -20.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.97 -56.44 20.84 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.69 -39.35 75.75 Favored Glycine 0 N--CA 1.464 0.555 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.406 ' H ' HG23 ' B' ' 16' ' ' VAL . 20.7 t -47.24 -18.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 122.626 -0.338 . . . . 0.0 110.734 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.5 ' O ' HG22 ' B' ' 20' ' ' THR . 98.0 t -70.49 -23.73 24.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 121.307 0.575 . . . . 0.0 110.363 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.83 -21.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.207 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.36 -56.97 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.475 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.5 HG22 ' O ' ' B' ' 17' ' ' VAL . 2.0 t -49.04 -41.06 33.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.424 ' N ' ' CG2' ' B' ' 20' ' ' THR . 71.0 t -63.84 -50.4 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.147 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.73 -47.49 62.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 23' ' ' VAL . 78.3 t -63.01 -44.23 99.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.457 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.2 -52.31 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -68.03 -36.78 80.5 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.1 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.36 -48.38 82.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.293 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.98 -59.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -54.36 -37.8 65.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.77 -32.61 71.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.761 0.315 . . . . 0.0 111.199 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -64.54 -44.18 91.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.899 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -100.95 4.52 42.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.514 179.778 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 9' ' ' ILE . 66.0 tttm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.55 -32.71 85.09 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.58 -27.52 19.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.51 -43.87 83.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 120.945 0.403 . . . . 0.0 110.905 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 5' ' ' LYS . 2.2 pp -58.59 -41.15 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.273 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -36.99 -57.78 1.27 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 60.6 mt -40.92 -25.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.706 0.289 . . . . 0.0 110.589 -178.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLY . 28.5 ttt -52.65 -64.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 10' ' ' GLY . 15.0 m -63.14 -19.01 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -56.22 19.4 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.595 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.32 61.94 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.17 -18.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 110.788 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.2 -20.21 26.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 CA-C-O 121.477 0.656 . . . . 0.0 109.771 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.33 -22.4 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.794 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.57 -58.15 7.15 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -38.35 62.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.59 -50.04 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.885 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.25 -43.12 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.95 -41.03 86.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.845 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.4 -49.71 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.767 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -64.67 -37.6 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.466 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.09 -38.95 88.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.109 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.34 -22.48 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.645 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.7 mtt -76.4 -35.67 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.0 mm? -76.1 -16.95 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.45 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.49 -41.72 98.56 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.582 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -95.17 6.17 49.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.981 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.714 179.975 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.431 ' O ' HG23 ' B' ' 9' ' ' ILE . 66.0 tttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.36 -32.59 84.67 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.41 -27.67 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.633 0.254 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.57 -43.96 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.431 HG23 ' O ' ' B' ' 5' ' ' LYS . 2.2 pp -58.43 -40.95 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.181 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.474 ' O ' HG22 ' B' ' 13' ' ' VAL . . . -37.17 -57.8 1.33 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 mt -40.95 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.587 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' MET . . . . . 0.448 ' N ' ' O ' ' B' ' 10' ' ' GLY . 28.4 ttt -53.4 -64.17 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 10' ' ' GLY . 15.1 m -63.09 -19.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.579 179.624 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -63.92 -56.11 20.55 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.581 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.15 -34.79 62.98 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -48.72 -18.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.769 0.319 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 14' ' ' GLY . 92.7 t -66.23 -20.16 26.79 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 121.532 0.682 . . . . 0.0 109.801 179.345 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.67 -22.3 29.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.745 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.09 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.903 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.44 62.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.42 -49.92 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.888 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.56 -43.16 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.82 -41.1 87.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.742 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mm -52.44 -49.66 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.426 ' H ' HG22 ' B' ' 25' ' ' THR . 1.5 t -64.79 -37.39 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.413 -179.209 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.22 -39.0 88.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.37 -22.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.657 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.27 -35.6 58.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.493 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.0 mm? -76.28 -17.07 59.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.32 -41.49 98.91 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.579 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 32' ' ' LYS . 22.8 pttp -95.4 6.21 49.59 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 31' ' ' LYS . 6.7 ptmm? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.957 -1.02 . . . . 0.0 111.731 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 108.333 -0.988 . . . . 999.99 108.333 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.47 -32.39 81.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.415 -1.074 . . . . 113.42 110.415 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.13 81.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.703 -0.249 . . . . 70.04 111.459 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.08 -43.89 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.338 . . . . 185.23 110.398 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.4 mt -63.09 -39.29 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.186 -0.461 . . . . 626.12 110.936 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -17.13 0.13 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.062 -0.815 . . . . 97.27 111.062 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 57.8 mt -77.95 -34.18 51.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 115.07 110.689 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' ILE . 22.8 ttt -60.19 -63.66 1.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.003 -0.544 . . . . 137.76 110.718 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.49 -20.58 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.22 -0.446 . . . . 36.99 110.299 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -55.78 25.51 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.185 -0.766 . . . . 19.98 111.185 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.56 -36.82 79.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.627 -0.589 . . . . 11.76 111.627 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.05 -18.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.761 -0.258 . . . . 13.76 110.747 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 20' ' ' THR . 73.8 t -67.41 -22.28 28.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.392 0.615 . . . . 96.87 109.825 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -24.05 29.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.389 -0.823 . . . . 181.43 110.08 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.66 -58.71 7.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.428 -0.351 . . . . 4.78 110.993 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.2 t -52.56 -38.29 59.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 37.5 111.069 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.39 -50.7 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.645 -0.502 . . . . 46.75 109.645 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -56.1 -44.59 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.077 -0.712 . . . . 9.91 109.077 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 27' ' ' VAL . 98.2 t -65.93 -43.63 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.388 . . . . 18.24 111.165 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.7 mt -52.13 -49.22 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 121.018 -0.273 . . . . 125.6 111.52 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.74 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.259 -0.576 . . . . 39.62 110.14 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -42.17 98.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.793 -0.639 . . . . 76.83 109.663 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' VAL . 91.0 t -55.62 -23.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.654 0.264 . . . . 115.63 110.826 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtt -80.05 -34.86 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.981 0.42 . . . . 125.49 110.673 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.3 mt -78.49 -19.8 52.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 340.21 110.9 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -61.89 -41.49 97.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.759 -0.377 . . . . 572.02 110.983 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -95.75 11.58 33.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.851 -0.34 . . . . 600.75 110.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.053 -0.975 . . . . 999.99 110.705 179.168 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 tptp . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.334 -0.987 . . . . 999.99 108.334 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.42 81.62 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.38 -1.088 . . . . 113.38 110.38 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.14 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.683 -0.259 . . . . 68.65 111.487 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.05 -43.88 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.79 0.329 . . . . 186.84 110.376 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' B' ' 12' ' ' MET . 1.4 mt -63.06 -39.38 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.21 -0.45 . . . . 626.07 110.923 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.41 -17.15 0.12 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.004 -0.838 . . . . 97.5 111.004 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' B' ' 9' ' ' ILE . 57.4 mt -77.99 -34.17 51.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 115.59 110.716 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.485 ' N ' ' O ' ' B' ' 9' ' ' ILE . 22.9 ttt -60.11 -63.76 1.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.016 -0.538 . . . . 138.75 110.72 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.41 -20.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 36.63 110.357 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.4 -55.79 25.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.181 -0.768 . . . . 19.96 111.181 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.92 79.73 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.617 -0.593 . . . . 11.95 111.617 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.401 ' H ' HG23 ' B' ' 16' ' ' VAL . 16.8 t -49.08 -18.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.619 0.247 . . . . 13.83 110.747 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.453 ' O ' HG22 ' B' ' 20' ' ' THR . 73.6 t -67.54 -22.15 28.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 CA-C-O 121.356 0.598 . . . . 96.94 109.804 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.21 -24.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.386 -0.824 . . . . 179.5 110.032 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.63 -58.78 7.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.817 0.341 . . . . 4.79 111.005 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.3 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 37.72 111.022 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.38 -50.68 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.667 -0.494 . . . . 45.9 109.667 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -56.05 -44.61 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.082 -0.71 . . . . 9.85 109.082 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.433 ' O ' HG23 ' B' ' 27' ' ' VAL . 98.3 t -66.0 -43.63 92.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.304 -0.407 . . . . 17.83 111.144 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.16 -49.24 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 121.055 -0.258 . . . . 124.61 111.487 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -64.75 -37.75 88.66 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.207 -0.597 . . . . 39.27 110.129 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.81 -42.16 98.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.845 -0.616 . . . . 74.83 109.689 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 23' ' ' VAL . 90.6 t -55.62 -23.26 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.673 0.273 . . . . 115.25 110.787 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 36.4 mtt -80.12 -34.68 37.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.95 0.405 . . . . 125.65 110.679 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.61 -19.66 52.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 338.6 110.928 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -61.93 -41.55 98.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.815 -0.354 . . . . 565.7 110.945 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -95.73 11.6 32.91 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.865 -0.334 . . . . 597.86 110.468 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.033 -0.984 . . . . 999.99 110.677 179.224 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.27 95.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.54 96.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.688 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.17 -42.86 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' MET . 98.0 mt -61.81 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.69 0.09 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.5 mt -77.37 -36.18 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.809 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.3 ttt -59.53 -63.9 1.14 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.64 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.29 -20.32 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.01 15.35 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.57 -38.02 69.62 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 16' ' ' VAL . 14.2 t -47.11 -19.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.69 0.281 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' GLY . 82.0 t -66.94 -21.25 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-O 121.365 0.603 . . . . 0.0 109.818 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -25.79 38.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.33 -59.23 5.3 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.955 0.407 . . . . 0.0 111.839 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 -37.37 59.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.257 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 24' ' ' ILE . 70.5 t -61.87 -49.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.77 -44.67 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.37 -42.55 93.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.921 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 21' ' ' VAL . 20.9 mt -52.43 -49.64 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.267 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.46 -35.51 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.071 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.56 -23.46 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.699 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.1 mtt -77.31 -34.6 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 110.618 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.49 -17.54 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HZ1' ' NZ ' ' B' ' 30' ' ' LYS . 67.9 mttm -63.85 -42.22 97.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.596 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -96.18 5.1 51.81 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.944 0.402 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.671 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.45 96.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.53 96.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.726 0.298 . . . . 0.0 110.774 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.06 -42.84 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.618 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' B' ' 12' ' ' MET . 98.2 mt -61.82 -43.26 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.531 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.29 -19.76 0.09 OUTLIER Glycine 0 CA--C 1.527 0.822 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' B' ' 9' ' ' ILE . 52.4 mt -77.26 -36.3 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.793 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.497 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.4 ttt -59.49 -63.81 1.17 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.702 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.42 -20.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.75 -57.05 15.61 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.7 -37.86 70.14 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 t -47.19 -19.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.657 0.265 . . . . 0.0 110.577 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.87 -21.28 28.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 CA-C-O 121.423 0.63 . . . . 0.0 109.825 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.25 -25.74 38.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.29 -59.19 5.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.984 0.421 . . . . 0.0 111.904 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -37.25 61.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.139 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' B' ' 24' ' ' ILE . 70.2 t -61.88 -49.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.81 -44.51 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.53 -42.6 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.872 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' B' ' 21' ' ' VAL . 20.8 mt -52.52 -49.6 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.173 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -65.39 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.286 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.81 -39.76 95.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.09 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.57 -23.5 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.3 mtt -77.22 -34.62 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.949 0.404 . . . . 0.0 110.611 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.45 -17.57 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.647 ' NZ ' ' HZ1' ' A' ' 30' ' ' LYS . 67.9 mttm -63.84 -42.29 97.64 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.693 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -96.11 5.18 51.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.648 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 -29.05 70.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.52 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.7 -43.56 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -61.84 -42.96 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.43 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.72 -19.47 0.11 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' ILE . 47.2 mt -80.47 -33.73 36.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' ILE . 28.6 ttt -61.45 -63.14 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.55 -19.22 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.478 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -65.15 -58.65 9.19 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -52.13 -38.69 48.7 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -45.75 -18.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.835 0.35 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 20' ' ' THR . 8.9 p -67.64 -25.76 33.72 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.2 mt -52.69 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.64 -55.62 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -47.68 -40.8 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' THR . 77.3 t -63.26 -51.16 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 25' ' ' THR . 73.4 mt -54.9 -47.16 76.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.68 -42.29 94.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.015 0.436 . . . . 0.0 110.212 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.54 -53.66 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.141 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 22' ' ' ILE . 1.8 t -60.63 -36.68 79.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.435 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.68 -39.39 93.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.4 -23.39 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.43 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.82 -36.06 62.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.2 mp -73.83 -20.93 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.701 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' B' ' 30' ' ' LYS . 65.8 mttm -63.32 -40.67 97.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -92.19 3.53 55.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.571 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -29.92 72.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.15 93.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.44 -43.25 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.825 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.3 mm -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.319 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.22 -19.5 0.13 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 9' ' ' ILE . 47.2 mt -80.3 -33.44 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 9' ' ' ILE . 28.5 ttt -61.57 -63.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.63 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.43 -19.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.572 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.555 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.97 -58.71 9.2 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -52.02 -38.5 47.39 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -45.88 -18.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.81 0.338 . . . . 0.0 110.636 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.555 HG12 ' O ' ' B' ' 14' ' ' GLY . 9.1 p -67.78 -25.06 31.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 93.2 mt -53.4 -20.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.65 12.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.208 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.541 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -47.58 -41.14 20.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.3 t -63.23 -50.85 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.744 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' B' ' 25' ' ' THR . 75.5 mt -54.86 -47.36 75.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.72 -42.65 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.48 . . . . 0.0 110.249 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -50.83 -53.99 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.147 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 22' ' ' ILE . 2.0 t -60.8 -36.03 77.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.21 0.319 . . . . 0.0 110.474 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.04 -39.66 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.1 -22.96 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.39 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.4 mmt -75.51 -36.5 60.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.455 HD12 ' N ' ' B' ' 29' ' ' LEU . 11.2 mp -73.45 -20.55 60.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.624 ' NZ ' ' NZ ' ' A' ' 30' ' ' LYS . 65.2 mttm -63.67 -41.39 98.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.762 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -91.32 3.53 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.608 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.85 -22.35 69.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.6 -29.45 16.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.72 0.295 . . . . 0.0 110.93 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.98 -43.17 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.78 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' MET . 2.3 pp -61.35 -39.18 81.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.792 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.5 -19.42 0.27 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 9' ' ' ILE . 57.9 mt -77.41 -35.35 54.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.457 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.8 ttt -59.69 -63.31 1.35 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.487 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.31 -19.23 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.14 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.9 -58.15 13.14 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.81 -38.2 72.57 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 16' ' ' VAL . 22.0 t -46.88 -19.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 122.614 -0.344 . . . . 0.0 110.906 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 20' ' ' THR . 92.6 t -68.53 -23.63 28.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-O 121.266 0.555 . . . . 0.0 110.582 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.6 -21.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.152 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.79 -54.18 30.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.184 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.3 t -51.31 -39.75 57.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.805 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.88 -49.9 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.87 -48.49 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.407 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.77 -42.33 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.824 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.18 -49.77 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.473 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.78 -36.36 84.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.521 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.61 -40.15 96.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.437 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.51 -23.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.789 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.9 mtt -76.32 -34.24 59.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 109.972 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -74.89 -19.8 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.498 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.23 -42.15 99.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.573 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -94.24 5.19 52.54 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.98 -22.26 69.17 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.76 -29.28 16.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.987 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.12 -43.19 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 12' ' ' MET . 2.3 pp -61.26 -39.29 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.816 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.47 -19.29 0.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.1 mt -77.52 -35.28 53.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 110.419 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.496 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.8 ttt -59.67 -63.3 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.52 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.36 -19.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.22 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -58.11 13.26 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.83 -38.19 72.68 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -46.83 -19.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.547 -0.384 . . . . 0.0 110.937 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 20' ' ' THR . 92.3 t -68.62 -23.61 28.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 110.52 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.63 -21.03 6.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.155 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.68 -54.3 29.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 111.173 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.3 t -51.21 -39.76 57.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.928 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.85 -49.82 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.02 -48.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.396 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.71 -42.35 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.823 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.6 mt -53.14 -49.8 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.437 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -64.82 -36.33 83.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.476 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.51 -40.29 96.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.473 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.47 -23.93 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.758 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.6 mtt -76.38 -34.22 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.996 0.427 . . . . 0.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.94 -19.79 59.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.542 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.09 -42.1 99.55 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -94.35 5.13 52.73 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.896 0.379 . . . . 0.0 110.753 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.71 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.75 -24.24 71.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 -31.11 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.532 0.206 . . . . 0.0 110.952 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.0 -43.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.869 0.366 . . . . 0.0 110.665 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' MET . 30.1 pt -61.16 -33.1 54.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.54 -17.73 0.28 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 9' ' ' ILE . 51.7 mt -79.05 -34.62 43.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.718 0.294 . . . . 0.0 110.867 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ILE . 27.7 ttt -60.85 -63.89 1.14 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.667 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.63 -20.36 21.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.0 22.52 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.72 -37.39 76.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -47.43 -19.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.59 0.233 . . . . 0.0 110.588 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' GLY . 93.0 t -67.04 -21.06 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.602 0.715 . . . . 0.0 109.734 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.68 -24.76 34.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.878 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.67 -58.99 5.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 111.897 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -37.1 61.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.649 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.84 -49.15 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -55.78 -44.55 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.3 t -66.16 -42.2 90.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.829 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.03 -50.81 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.126 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.82 -37.13 86.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 110.692 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.95 -39.18 91.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.03 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.47 -23.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.67 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmm -75.41 -36.66 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.32 -18.49 60.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.38 -42.69 96.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.789 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -95.78 3.36 53.86 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.502 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.88 -23.94 71.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.85 -31.15 23.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.504 0.192 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.97 -43.41 92.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 110.672 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' MET . 29.9 pt -61.2 -32.96 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.77 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.78 -17.58 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.443 ' N ' ' C ' ' B' ' 9' ' ' ILE . 51.3 mt -79.06 -34.67 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.444 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.8 ttt -60.75 -63.92 1.13 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.676 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.63 -20.41 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.35 -56.06 22.16 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.71 -37.19 75.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 18.1 t -47.5 -19.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.578 0.228 . . . . 0.0 110.625 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 15' ' ' GLY . 93.3 t -67.08 -20.99 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 109.814 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.75 -24.66 34.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.88 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -59.01 5.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 111.862 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.414 ' H ' HG22 ' B' ' 20' ' ' THR . 0.7 OUTLIER -53.18 -37.04 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.696 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.9 -49.24 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.68 -44.54 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.3 -42.14 90.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.93 -50.92 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.123 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -63.81 -37.17 86.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.712 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.88 -39.26 91.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.975 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.42 -23.61 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 13.0 mmm -75.45 -36.81 60.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 68.6 mt -74.17 -18.55 60.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.38 -42.66 96.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.772 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -95.66 3.23 54.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.534 -179.856 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.62 93.64 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.29 90.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.632 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.9 -43.06 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.599 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' MET . 96.9 mt -62.58 -42.8 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.392 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.74 -19.66 0.34 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 9' ' ' ILE . 52.4 mt -76.68 -32.37 57.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -64.31 -63.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -55.73 -20.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.94 -56.73 16.94 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.12 -40.72 67.56 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -46.99 -19.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 122.574 -0.368 . . . . 0.0 110.661 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.514 ' O ' HG22 ' A' ' 20' ' ' THR . 93.0 t -70.99 -25.73 26.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 CA-C-O 121.037 0.446 . . . . 0.0 110.357 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.0 -21.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.192 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -57.04 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 111.264 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.8 t -48.34 -40.59 25.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.794 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' A' ' 20' ' ' THR . 75.4 t -64.38 -51.8 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.343 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -52.49 -47.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG22 HG22 ' B' ' 23' ' ' VAL . 70.2 t -63.64 -44.94 98.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.458 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.53 -54.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.539 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 26' ' ' LEU . 4.9 t -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.87 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' HG23 ' A' ' 25' ' ' THR . 19.2 mt -52.78 -48.08 67.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.357 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 30' ' ' LYS . 54.5 t -49.58 -58.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.214 -0.594 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -43.7 -40.57 4.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.013 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.2 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 111.058 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 27' ' ' VAL . 98.2 mttt -82.16 -8.64 59.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -124.77 0.03 8.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.435 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.97 92.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.2 90.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.93 -43.05 89.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.597 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 12' ' ' MET . 96.9 mt -62.67 -42.96 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.508 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.49 -19.45 0.27 Allowed Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' B' ' 9' ' ' ILE . 51.8 mt -76.53 -33.19 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.984 0.421 . . . . 0.0 110.733 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.481 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -63.59 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.864 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -55.93 -20.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.9 -56.69 17.24 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.12 -40.68 67.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.42 ' H ' HG23 ' B' ' 16' ' ' VAL . 7.5 t -47.12 -19.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.645 -0.327 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.53 ' O ' HG22 ' B' ' 20' ' ' THR . 93.5 t -71.19 -25.5 25.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 121.069 0.462 . . . . 0.0 110.395 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 41.8 mm -56.34 -21.12 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.22 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -57.1 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.351 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.53 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -48.37 -40.55 26.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.417 ' N ' ' CG2' ' B' ' 20' ' ' THR . 76.0 t -64.35 -51.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.284 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.7 mt -52.47 -47.4 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 23' ' ' VAL . 72.2 t -63.75 -44.91 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.407 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.61 -53.9 22.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.503 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.441 HG23 ' N ' ' B' ' 26' ' ' LEU . 4.8 t -66.03 -41.23 91.21 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.918 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.441 ' N ' HG23 ' B' ' 25' ' ' THR . 19.2 mt -52.53 -48.08 66.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' B' ' 30' ' ' LYS . 54.9 t -49.66 -58.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.921 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.8 mtt -43.56 -40.62 4.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.986 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.419 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.1 mm? -73.54 -22.26 60.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.712 0.291 . . . . 0.0 111.003 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 27' ' ' VAL . 98.2 mttt -82.02 -8.33 59.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -125.22 0.3 7.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.753 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.395 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.09 -22.92 72.79 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.07 -31.77 25.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.52 -43.61 90.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 12' ' ' MET . 27.9 pt -62.61 -34.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.81 -16.9 0.23 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.6 mt -79.68 -32.37 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.765 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.06 -63.61 1.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 -179.428 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.549 ' N ' ' SD ' ' A' ' 12' ' ' MET . 27.7 m -59.32 -21.01 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.648 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.47 -55.67 21.82 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.99 -39.46 68.98 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 t -46.45 -20.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.594 0.235 . . . . 0.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' A' ' 15' ' ' GLY . 97.3 t -68.09 -21.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 0.0 110.165 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.36 -24.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.921 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -59.55 4.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.708 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.16 -35.97 62.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.43 -55.56 20.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-O 121.22 0.534 . . . . 0.0 110.041 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 25' ' ' THR . 67.4 mt -46.3 -39.83 3.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.1 -42.19 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.391 0.615 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -40.97 -51.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.659 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 22' ' ' ILE . 3.1 t -59.18 -37.72 78.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.776 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.46 -26.88 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.589 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.9 mtt -73.62 -35.0 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -76.11 -21.31 56.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HZ3' ' NZ ' ' B' ' 30' ' ' LYS . 68.4 mttm -67.33 -42.6 83.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.955 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.02 0.31 57.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.759 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.449 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.64 -23.23 73.82 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.9 -31.46 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.755 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.55 -43.59 90.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.444 ' C ' ' N ' ' B' ' 11' ' ' LEU . 27.5 pt -63.01 -34.36 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.616 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.98 -16.87 0.24 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.444 ' N ' ' C ' ' B' ' 9' ' ' ILE . 57.3 mt -79.76 -32.83 41.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 110.821 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -64.58 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.829 -179.433 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.545 ' N ' ' SD ' ' B' ' 12' ' ' MET . 27.9 m -59.48 -20.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.722 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.57 -55.59 22.07 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.8 -39.67 68.73 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.425 ' H ' HG23 ' B' ' 16' ' ' VAL . 13.2 t -46.25 -20.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.597 0.237 . . . . 0.0 110.672 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.66 -21.22 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.786 0.803 . . . . 0.0 110.127 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.38 -24.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.878 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.22 -59.52 4.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.685 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -54.17 -36.13 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.232 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.18 -55.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.22 0.534 . . . . 0.0 110.047 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.653 ' O ' HG22 ' B' ' 25' ' ' THR . 68.3 mt -46.74 -39.65 4.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.26 -42.2 94.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.298 0.571 . . . . 0.0 110.747 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.8 mt -40.9 -51.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.618 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 22' ' ' ILE . 3.2 t -59.25 -38.14 79.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.76 -39.6 94.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.551 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.9 -26.73 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.571 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.7 mtt -73.65 -34.9 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.24 -21.4 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.716 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.671 ' NZ ' ' HZ3' ' A' ' 30' ' ' LYS . 68.0 mttm -67.32 -42.33 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -91.29 0.31 57.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.509 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -29.42 24.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.653 0.263 . . . . 0.0 110.763 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.73 -43.6 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.666 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -63.66 -27.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.668 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.2 -20.65 7.06 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.91 -32.86 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.876 0.37 . . . . 0.0 110.673 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.09 -63.53 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -58.22 -20.78 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.32 -56.38 20.38 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.55 -38.89 72.64 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -46.86 -18.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.8 0.333 . . . . 0.0 110.72 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 20' ' ' THR . 95.4 t -69.93 -23.79 25.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 121.006 0.432 . . . . 0.0 110.213 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.97 -21.78 8.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -56.83 12.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.324 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.7 t -48.88 -41.26 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' A' ' 20' ' ' THR . 95.2 t -63.35 -50.57 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.139 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.6 -47.51 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.16 -43.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.994 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.91 -52.79 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.232 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -62.91 -37.46 87.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.752 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 30' ' ' LYS . 11.5 mt -61.47 -43.18 99.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 78.2 t -54.65 -69.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.231 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.83 -36.1 11.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.804 0.335 . . . . 0.0 110.699 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt -78.63 -20.97 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.807 0.337 . . . . 0.0 110.462 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' LEU . 28.9 ttmt -62.5 -44.3 96.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.191 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -100.98 12.92 36.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.569 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.19 87.91 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.07 -29.46 24.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.672 0.273 . . . . 0.0 110.786 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.637 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -63.72 -27.25 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.673 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.4 -20.49 7.3 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.6 mt -77.08 -32.66 56.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.0 110.639 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' B' ' 12' ' ' MET . 0.4 OUTLIER -64.25 -63.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.312 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.41 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.8 m -58.21 -20.81 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.37 -56.33 20.55 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.49 -38.99 72.29 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -46.88 -18.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 122.655 -0.321 . . . . 0.0 110.654 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 20' ' ' THR . 95.4 t -70.01 -23.74 25.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.016 0.436 . . . . 0.0 110.222 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.91 -21.85 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.208 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.92 11.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.7 t -48.73 -41.3 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.741 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' B' ' 20' ' ' THR . 92.5 t -63.34 -50.49 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.135 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.67 -47.44 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.28 -43.53 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.923 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.96 -52.64 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.28 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.404 ' H ' HG22 ' B' ' 25' ' ' THR . 1.7 t -63.06 -37.38 86.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.705 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' B' ' 30' ' ' LYS . 11.4 mt -61.59 -43.25 99.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.243 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LYS . 76.9 t -54.5 -69.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.239 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 77.7 mtm -47.85 -35.94 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.645 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.75 -21.13 48.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.847 0.356 . . . . 0.0 110.45 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' B' ' 26' ' ' LEU . 28.9 ttmt -62.4 -44.12 97.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -101.28 12.95 36.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.462 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.55 -22.43 69.69 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.52 -28.63 28.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.47 -44.09 87.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.937 0.399 . . . . 0.0 110.684 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 pt -59.71 -36.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.44 -22.91 4.05 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -77.84 -34.36 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.3 ttt -62.91 -63.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.605 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.08 -21.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.393 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.24 -56.21 21.57 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -55.03 -39.46 69.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 t -45.92 -16.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.712 0.291 . . . . 0.0 110.855 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 20' ' ' THR . 88.1 t -70.65 -23.23 24.0 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.24 -21.72 6.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.151 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.0 -57.44 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.265 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.9 t -47.93 -40.96 23.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' N ' ' CG2' ' A' ' 20' ' ' THR . 96.2 t -64.96 -51.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -51.39 -47.99 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.508 HG22 HG22 ' B' ' 23' ' ' VAL . 76.4 t -62.86 -45.51 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.424 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.93 -55.28 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.822 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.25 -39.2 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.969 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.08 -47.91 83.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.223 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.4 t -50.41 -64.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.989 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.7 mtt -45.3 -37.76 5.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.624 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.42 -32.28 66.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 110.975 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' VAL . 47.9 mttp -66.45 -42.85 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.908 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.48 0.11 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.5 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.31 -22.68 69.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.14 -28.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.694 0.283 . . . . 0.0 110.772 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.46 -44.02 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.644 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 12' ' ' MET . 16.7 pt -59.73 -36.92 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.3 -22.77 3.73 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -78.15 -33.68 50.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.559 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 9' ' ' ILE . 11.6 ttt -63.46 -63.54 1.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -59.14 -21.49 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.05 22.7 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.03 -39.48 69.46 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.7 t -45.95 -16.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.506 ' O ' HG22 ' B' ' 20' ' ' THR . 83.9 t -70.58 -23.17 24.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -54.34 -21.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.255 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -57.33 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.358 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.9 t -48.1 -41.05 25.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.426 ' N ' ' CG2' ' B' ' 20' ' ' THR . 97.0 t -64.69 -51.47 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.146 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.43 -47.86 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.508 HG22 HG22 ' A' ' 23' ' ' VAL . 74.2 t -63.07 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.503 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.8 -55.31 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.1 t -64.3 -39.18 93.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.948 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.11 -47.91 83.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.312 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 30' ' ' LYS . 63.9 t -50.5 -64.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.958 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.6 mtt -45.22 -37.82 4.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.36 -32.29 66.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 0.0 110.967 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' B' ' 27' ' ' VAL . 47.9 mttp -66.35 -42.63 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.963 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -94.73 0.23 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.635 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.37 -33.29 80.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.38 83.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.699 0.285 . . . . 0.0 110.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.5 -42.91 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 110.692 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 35.0 mm -61.78 -43.33 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.39 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.66 -20.02 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.4 mt -76.88 -36.04 57.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.906 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' ILE . 26.7 ttt -59.72 -64.0 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.739 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.92 -20.76 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -64.45 -61.43 5.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.76 -38.81 74.55 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' MET . 92.0 t -45.56 -19.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.347 . . . . 0.0 110.607 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 14' ' ' GLY . 84.2 t -62.14 -18.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.601 0.715 . . . . 0.0 110.18 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.17 -31.28 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.2 -60.77 3.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.905 0.383 . . . . 0.0 111.34 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -52.61 -38.8 60.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.303 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.8 -51.06 77.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.31 -44.28 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.32 -42.45 93.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.021 0.439 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.12 -50.72 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.418 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -64.32 -35.84 82.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.68 -39.35 91.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.38 -22.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmm -76.43 -37.17 57.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.1 -16.9 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.474 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.75 -41.89 97.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.88 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -91.74 6.45 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.609 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.697 -179.654 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.45 82.72 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.59 82.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.69 0.281 . . . . 0.0 110.609 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.44 -42.85 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 11' ' ' LEU . 35.2 mm -61.67 -43.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.78 -19.85 0.07 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.8 mt -77.02 -36.16 56.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.964 0.411 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 27.1 ttt -59.36 -63.89 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.625 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.39 -20.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.533 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.462 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -64.51 -61.42 5.98 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -55.93 -38.75 76.07 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 12' ' ' MET . 83.4 t -45.59 -19.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.977 0.417 . . . . 0.0 110.644 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 14' ' ' GLY . 88.3 t -62.14 -18.69 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.562 0.696 . . . . 0.0 110.123 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 tt -63.35 -31.05 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.01 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.315 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -52.59 -38.75 60.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.91 -50.9 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.075 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.3 -44.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.32 -42.46 93.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.964 0.411 . . . . 0.0 110.577 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.11 -50.73 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.459 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.42 HG22 ' H ' ' B' ' 25' ' ' THR . 2.1 t -64.42 -35.9 82.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.968 0.413 . . . . 0.0 110.51 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.48 -39.58 91.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.031 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.38 -22.13 26.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.559 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmm -76.27 -37.16 57.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.06 -17.25 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.523 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.58 -41.85 98.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.872 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -91.87 6.32 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.862 -1.065 . . . . 0.0 110.599 -179.73 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.92 -32.64 80.58 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.53 79.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.656 0.265 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.87 -42.68 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LEU . 36.5 mm -57.36 -45.11 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.482 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.29 -19.01 0.12 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 9' ' ' ILE . 52.3 mt -84.3 -36.36 22.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.595 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.09 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 -179.388 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' A' ' 12' ' ' MET . 26.8 m -61.18 -21.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.126 0.489 . . . . 0.0 110.699 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -64.42 -54.06 31.81 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.536 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -56.53 -38.64 81.77 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 16' ' ' VAL . 21.3 t -44.7 -16.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 O-C-N 122.767 -0.255 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 14' ' ' GLY . 8.2 p -67.99 -19.29 24.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-O 121.917 0.865 . . . . 0.0 110.362 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.86 -23.74 30.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.909 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -59.2 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.059 0.457 . . . . 0.0 111.918 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.4 t -53.58 -36.79 62.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -54.4 31.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.86 -41.63 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -69.28 -44.16 80.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -49.55 -53.33 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.144 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -60.58 -43.32 97.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.46 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.32 -39.67 73.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.144 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.89 -24.68 35.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.601 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.1 mmm -74.1 -39.68 63.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.02 -21.06 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.627 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HE3' ' HZ1' ' B' ' 30' ' ' LYS . 67.0 mttm -70.34 -42.2 72.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.979 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -92.89 -3.97 53.66 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 117.558 -1.21 . . . . 0.0 110.701 -179.539 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -33.47 81.19 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.04 77.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.732 0.301 . . . . 0.0 110.695 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.19 -42.9 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' B' ' 12' ' ' MET . 38.1 mm -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.81 -18.9 0.14 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 9' ' ' ILE . 53.3 mt -84.12 -35.8 23.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 110.594 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' B' ' 13' ' ' VAL . 0.8 OUTLIER -61.95 -64.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.687 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.499 ' N ' ' SD ' ' B' ' 12' ' ' MET . 26.2 m -61.13 -21.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.053 0.454 . . . . 0.0 110.669 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.505 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.83 -53.91 31.53 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.51 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' B' ' 17' ' ' VAL . . . -56.43 -38.5 80.05 Favored Glycine 0 C--O 1.225 -0.447 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -44.94 -16.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.626 0.251 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.505 HG12 ' O ' ' B' ' 14' ' ' GLY . 7.3 p -67.73 -19.2 24.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.832 0.825 . . . . 0.0 110.439 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.74 -23.88 30.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -59.22 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.897 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -53.84 -36.87 63.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.98 -54.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.031 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.59 -41.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.17 -44.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.844 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -49.7 -53.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.174 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -60.54 -42.97 97.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.014 0.435 . . . . 0.0 110.396 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.56 -39.71 73.93 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.055 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.63 -24.84 35.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.509 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.2 mmm -73.95 -39.6 63.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 0.0 110.646 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -70.33 -20.99 62.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.676 ' HZ1' ' HE3' ' A' ' 30' ' ' LYS . 67.1 mttm -70.36 -41.7 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -93.62 -4.02 51.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.702 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 117.577 -1.201 . . . . 0.0 110.741 -179.526 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.13 74.05 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.25 -32.74 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.635 0.255 . . . . 0.0 110.768 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.17 -43.72 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.784 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' MET . 23.0 pt -58.97 -33.12 49.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.3 0.52 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ILE . 56.9 mt -80.86 -31.19 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.633 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ILE . 25.3 ttt -64.57 -63.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -58.97 -20.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.55 -56.88 14.66 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.65 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -53.59 -39.24 60.16 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -47.0 -19.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 O-C-N 122.621 -0.341 . . . . 0.0 110.465 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 20' ' ' THR . 94.1 t -69.61 -21.86 24.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 122.153 0.978 . . . . 0.0 110.12 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 18' ' ' ILE . 38.0 mm -59.71 -18.81 15.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.091 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -56.64 5.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -50.42 -45.07 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.582 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 22' ' ' ILE . 2.7 p -60.49 -47.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.437 ' N ' HG13 ' A' ' 21' ' ' VAL . 65.4 mt -55.01 -43.98 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.44 -40.8 85.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.059 0.457 . . . . 0.0 110.431 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.32 -50.12 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.089 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -63.8 -36.29 83.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.007 0.432 . . . . 0.0 110.006 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.81 -39.59 94.6 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.401 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.38 -22.6 28.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -33.36 42.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.633 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.39 -19.74 59.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.95 -41.59 97.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.635 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.17 4.63 52.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.513 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 tttm . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.85 -26.93 73.79 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.32 -31.97 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.743 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.8 -43.6 93.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.669 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' B' ' 12' ' ' MET . 23.2 pt -59.25 -33.55 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.648 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.76 -19.13 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' B' ' 9' ' ' ILE . 58.6 mt -80.86 -31.47 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.689 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.465 ' N ' ' O ' ' B' ' 9' ' ' ILE . 24.5 ttt -64.47 -63.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.9 m -58.96 -19.89 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.5 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.74 -56.91 14.05 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -53.53 -39.43 60.21 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.403 ' H ' HG23 ' B' ' 16' ' ' VAL . 10.6 t -47.0 -19.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.63 -0.336 . . . . 0.0 110.534 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 15' ' ' GLY . 97.3 t -69.66 -21.89 24.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-O 122.145 0.974 . . . . 0.0 110.1 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' B' ' 18' ' ' ILE . 37.9 mm -59.55 -18.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.18 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.88 -56.47 5.15 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER -50.41 -44.36 55.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.536 -179.185 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.438 HG13 ' N ' ' B' ' 22' ' ' ILE . 2.8 p -60.99 -47.37 93.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.438 ' N ' HG13 ' B' ' 21' ' ' VAL . 64.2 mt -55.09 -44.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.21 -40.44 85.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.0 0.429 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 mm -52.73 -50.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -63.92 -35.99 82.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.093 0.473 . . . . 0.0 110.037 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.99 -39.85 95.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.408 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.27 -22.79 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 66.0 mtt -78.99 -33.43 45.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -75.48 -20.27 58.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.39 -41.51 98.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.591 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' H ' ' B' ' 31' ' ' LYS . 0.5 OUTLIER -92.18 4.83 52.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.676 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.504 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.0 pttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.76 -25.91 68.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.12 -32.44 24.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.469 0.176 . . . . 0.0 111.297 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.72 -43.34 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' MET . 34.2 pt -62.21 -35.79 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.076 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.52 -19.71 0.3 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 9' ' ' ILE . 59.4 mt -73.37 -36.36 66.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.095 0.474 . . . . 0.0 110.431 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -59.71 -63.26 1.37 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.538 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' N ' ' SD ' ' A' ' 12' ' ' MET . 33.8 m -62.17 -20.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -63.83 -61.27 6.32 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.02 -38.55 86.16 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.352 -0.451 . . . . 0.0 112.132 -178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.8 t -46.4 -19.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 15' ' ' GLY . 76.4 t -60.97 -19.2 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.751 0.786 . . . . 0.0 109.692 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 18' ' ' ILE . 10.4 tp -62.3 -34.0 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.54 -59.82 4.18 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.91 -37.61 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.49 -49.2 85.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.47 -45.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.366 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.7 -41.94 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.609 0.242 . . . . 0.0 110.838 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.7 mt -53.83 -48.76 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.308 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -65.72 -36.59 84.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.698 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.09 -39.17 88.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.254 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.73 -22.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.715 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -73.96 -36.69 64.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.081 0.467 . . . . 0.0 109.95 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.9 mm? -76.82 -18.99 58.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.71 -41.69 95.83 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.411 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -92.5 4.67 53.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.1 -0.953 . . . . 0.0 110.338 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.84 -25.9 68.37 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.15 -32.42 24.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.231 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.76 -43.4 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' B' ' 12' ' ' MET . 33.7 pt -62.11 -35.92 71.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.48 -19.69 0.29 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' B' ' 9' ' ' ILE . 59.2 mt -73.42 -36.32 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.043 0.449 . . . . 0.0 110.389 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' B' ' 9' ' ' ILE . 0.4 OUTLIER -59.75 -63.22 1.38 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.504 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.438 ' N ' ' SD ' ' B' ' 12' ' ' MET . 33.7 m -62.17 -20.77 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.419 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -63.73 -61.4 6.23 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.01 -38.53 86.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.057 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -46.39 -19.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.806 0.336 . . . . 0.0 111.052 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 14' ' ' GLY . 74.1 t -60.91 -19.18 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 109.675 179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 tp -62.34 -33.93 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.941 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -59.76 4.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.6 t -55.99 -37.55 69.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.48 -49.23 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.7 mt -56.43 -45.85 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.444 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.83 -41.77 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.584 0.23 . . . . 0.0 110.846 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 mt -54.02 -48.65 63.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.27 -178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 25' ' ' THR . 1.7 t -65.78 -36.59 83.97 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.654 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.11 -39.09 88.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.86 -22.8 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.673 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 11.7 mmm -74.06 -36.78 64.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.862 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 29' ' ' LEU . 3.8 mm? -76.72 -18.92 58.22 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.81 -41.71 95.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.366 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -92.49 4.65 53.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.313 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.9 96.88 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.79 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.501 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.84 -55.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.671 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 12' ' ' MET . 37.2 mm -63.37 -48.9 85.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.872 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.43 -53.87 4.11 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -46.29 -21.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.618 0.246 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 22.3 ttt -41.82 -57.12 2.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.362 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' VAL . 10.8 m -55.98 -41.61 68.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.702 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 13' ' ' VAL . . . -30.54 -51.45 0.21 Allowed Glycine 0 CA--C 1.527 0.805 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.496 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -56.12 -39.33 80.18 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.028 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 34.0 t -47.26 -17.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 122.6 -0.353 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 20' ' ' THR . 94.9 t -69.18 -22.42 25.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.361 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.02 -19.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.129 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -55.08 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.6 t -51.41 -39.62 57.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.082 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.72 -50.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 109.714 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.72 -45.77 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.68 -42.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.76 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.81 -53.18 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.978 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.87 -38.87 89.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.29 -39.79 88.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.5 t -62.24 -25.19 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.704 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.58 -39.81 57.54 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.857 0.36 . . . . 0.0 111.248 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 29' ' ' LEU . 9.8 mp -81.84 -18.6 43.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.684 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HZ3' ' HG2' ' B' ' 30' ' ' LYS . 13.0 mtpp -76.31 -23.07 54.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.003 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.5 2.1 44.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.919 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.388 179.722 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.46 -38.43 96.34 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.16 -55.01 39.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.84 -55.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.622 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' B' ' 12' ' ' MET . 37.7 mm -63.31 -48.82 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.907 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.35 -53.85 4.05 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -46.26 -21.93 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.713 0.292 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' B' ' 9' ' ' ILE . 21.6 ttt -41.83 -57.11 2.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.416 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 16' ' ' VAL . 10.8 m -56.11 -41.42 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.813 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.454 ' N ' HG23 ' B' ' 13' ' ' VAL . . . -30.56 -51.18 0.21 Allowed Glycine 0 CA--C 1.527 0.838 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.437 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -56.3 -39.58 82.73 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.137 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 13' ' ' VAL . 36.3 t -47.02 -17.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.562 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.478 ' O ' HG22 ' B' ' 20' ' ' THR . 94.7 t -69.21 -22.51 25.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-O 121.315 0.579 . . . . 0.0 110.345 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.7 mt -55.08 -20.03 5.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.012 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -55.26 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.238 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.478 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.6 t -51.21 -39.45 56.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.66 -50.24 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 109.692 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 81.5 mt -53.78 -45.71 62.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.7 -42.64 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.816 0.341 . . . . 0.0 110.75 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mm -48.96 -53.1 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.04 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 t -61.85 -38.93 90.04 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.24 -39.82 88.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.26 -24.96 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 18.7 mmm -75.65 -39.65 57.34 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.486 HD12 ' N ' ' B' ' 29' ' ' LEU . 9.8 mp -82.11 -18.27 43.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.68 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.529 ' HG2' ' HZ3' ' A' ' 30' ' ' LYS . 13.0 mtpp -76.66 -22.64 53.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -99.92 2.2 43.47 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.943 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.466 179.743 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.47 93.31 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.46 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.682 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.96 -42.54 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.96 -43.13 98.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.69 2.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -76.74 -30.18 56.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.264 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.37 -63.65 1.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.04 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.51 -19.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -62.47 -57.2 17.6 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -57.37 -36.38 76.22 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.725 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.5 t -46.91 -17.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 122.542 -0.387 . . . . 0.0 111.02 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 14' ' ' GLY . 8.6 p -67.87 -24.43 30.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-O 121.22 0.533 . . . . 0.0 110.641 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.75 -22.61 6.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.84 -55.98 21.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.141 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 17' ' ' VAL . 1.6 t -49.78 -39.91 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.92 -50.36 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.9 mt -55.31 -50.06 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.86 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.535 HG22 HG22 ' B' ' 23' ' ' VAL . 90.6 t -63.42 -44.19 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.489 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.9 mt -57.63 -51.34 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.768 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -71.06 -36.72 72.41 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.772 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.7 mt -51.37 -49.11 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.821 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -47.7 -56.21 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.569 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.33 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.61 -23.37 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.524 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 26' ' ' LEU . 56.7 tttt -62.33 -40.54 96.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.6 15.14 26.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.472 179.166 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.05 -36.33 93.12 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.23 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.11 -42.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.499 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.87 -43.09 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.731 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.64 -18.67 2.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -76.9 -30.02 56.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.855 0.36 . . . . 0.0 110.256 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -64.32 -63.62 1.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.074 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.59 -19.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.206 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.53 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -62.37 -57.28 17.41 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -57.47 -36.38 76.94 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.3 t -46.85 -17.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 122.582 -0.363 . . . . 0.0 110.997 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' B' ' 14' ' ' GLY . 8.8 p -67.96 -24.31 30.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-O 121.284 0.564 . . . . 0.0 110.687 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.88 -22.55 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.007 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.88 -55.95 21.65 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.499 HG22 ' O ' ' B' ' 17' ' ' VAL . 1.6 t -49.85 -39.93 40.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.8 -50.35 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.853 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.42 -49.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 23' ' ' VAL . 92.0 t -63.52 -44.26 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.475 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.62 -51.28 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.721 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -71.18 -36.61 72.02 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.697 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 30' ' ' LYS . 12.7 mt -51.37 -49.05 62.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.844 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -47.72 -56.27 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.457 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.36 -40.24 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.179 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.57 -23.31 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.513 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' B' ' 26' ' ' LEU . 56.2 tttt -62.24 -40.72 97.08 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -98.41 14.98 26.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.361 179.187 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.01 98.16 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.49 64.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.426 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -40.92 -53.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.87 -47.01 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.006 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -39.08 -49.92 2.72 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 11' ' ' LEU . 58.0 mt -41.94 -22.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' GLY . 24.5 ttt -49.96 -62.5 1.53 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.979 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 10' ' ' GLY . 6.5 m -62.56 -18.74 21.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.342 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -64.12 -55.43 23.98 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.628 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -54.21 -33.09 51.67 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.9 t -49.5 -17.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.704 0.288 . . . . 0.0 110.658 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 20' ' ' THR . 8.1 p -67.47 -26.38 35.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-O 121.09 0.471 . . . . 0.0 110.611 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mm -53.76 -19.08 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.66 -54.71 23.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.193 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -49.83 -41.5 45.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' THR . 81.1 t -63.36 -50.45 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -54.81 -46.67 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG22 HG22 ' B' ' 23' ' ' VAL . 94.2 t -65.19 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.705 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.87 -51.31 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.07 -37.7 88.41 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.842 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.73 -43.16 98.24 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.231 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.45 -22.97 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.962 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.9 mmm -80.31 -44.08 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -79.49 -8.67 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.613 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -83.91 -20.53 32.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.147 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -107.71 3.35 24.53 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.733 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.23 98.99 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.37 -52.68 64.19 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.7 mt -41.07 -53.5 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.468 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.83 -47.4 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.009 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.496 ' O ' HG22 ' B' ' 13' ' ' VAL . . . -38.8 -49.73 2.53 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.07 -22.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.556 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.466 ' N ' ' O ' ' B' ' 10' ' ' GLY . 24.8 ttt -50.19 -62.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.895 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 10' ' ' GLY . 6.4 m -62.6 -18.76 21.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.315 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.444 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -64.05 -55.24 25.31 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -54.49 -33.28 53.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -49.3 -17.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.675 0.274 . . . . 0.0 110.66 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.502 ' O ' HG22 ' B' ' 20' ' ' THR . 8.3 p -67.43 -26.26 35.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-O 121.142 0.496 . . . . 0.0 110.687 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.7 mm -53.82 -19.3 2.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.109 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.47 -54.8 23.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.502 HG22 ' O ' ' B' ' 17' ' ' VAL . 2.1 t -49.78 -41.54 44.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 20' ' ' THR . 86.2 t -63.21 -50.35 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.082 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 80.5 mt -54.83 -46.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 23' ' ' VAL . 93.6 t -65.08 -41.98 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 mm -51.96 -51.23 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.993 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -65.14 -37.71 88.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.721 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.182 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.42 -23.03 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.881 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 26.5 mmm -80.29 -43.96 20.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.31 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.411 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.2 mm? -79.58 -8.79 59.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.625 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -83.81 -20.73 32.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.147 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -107.48 3.46 25.09 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.446 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptp . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.09 74.57 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.63 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.664 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -43.61 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.432 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.62 -25.95 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.47 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.74 -22.29 25.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.28 -29.93 57.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ttt -67.06 -63.26 1.1 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.605 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.94 -21.23 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -62.62 -59.68 8.92 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -51.65 -40.0 47.22 Favored Glycine 0 C--O 1.224 -0.496 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 t -46.39 -16.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 122.47 -0.429 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 20' ' ' THR . 4.1 p -74.0 -28.03 23.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.8 mm -52.65 -19.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 O-C-N 123.836 0.71 . . . . 0.0 110.103 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.95 -58.25 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 17' ' ' VAL . 3.9 t -46.99 -40.35 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.433 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.444 ' N ' ' CG2' ' A' ' 20' ' ' THR . 94.4 t -67.04 -53.29 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.378 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -45.67 -49.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG22 HG22 ' B' ' 23' ' ' VAL . 58.6 t -63.57 -46.75 94.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.184 0.516 . . . . 0.0 110.395 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.07 -59.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 25' ' ' THR . 1.7 t -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.621 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 33.2 mt -57.93 -51.16 70.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.899 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.53 -60.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 123.328 0.392 . . . . 0.0 110.457 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.5 mtm -54.72 -38.41 67.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.596 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.66 -21.77 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.19 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' LEU . 39.4 tttm -63.96 -41.19 97.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -104.16 18.15 22.67 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.355 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.516 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.4 tptp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 -23.65 74.09 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.25 -34.48 25.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.705 0.288 . . . . 0.0 110.72 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.36 -43.81 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 pt -64.61 -26.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.99 -22.17 19.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.5 mt -76.06 -30.55 58.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 5.5 ttt -66.67 -63.28 1.1 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 m -56.69 -21.34 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.507 ' O ' HG12 ' B' ' 17' ' ' VAL . . . -62.75 -59.58 8.99 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -51.49 -40.09 46.18 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 t -46.5 -16.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.969 0.414 . . . . 0.0 110.714 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.507 HG12 ' O ' ' B' ' 14' ' ' GLY . 4.2 p -73.36 -28.05 24.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.27 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' B' ' 18' ' ' ILE . 45.3 mm -52.64 -19.55 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.816 0.697 . . . . 0.0 110.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.3 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 17' ' ' VAL . 3.7 t -46.87 -41.02 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 20' ' ' THR . 95.7 t -66.25 -53.36 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.268 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -45.83 -49.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.938 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 23' ' ' VAL . 59.8 t -63.37 -46.52 95.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.119 0.485 . . . . 0.0 110.42 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -45.14 -59.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -60.41 -41.43 93.88 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' B' ' 30' ' ' LYS . 31.2 mt -58.2 -51.18 70.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.888 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -47.44 -60.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.233 0.333 . . . . 0.0 110.349 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 78.6 mtm -54.98 -38.15 67.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.88 -21.96 43.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' B' ' 26' ' ' LEU . 38.9 tttm -63.71 -41.36 98.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.254 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -103.86 18.08 22.73 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.579 -179.865 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -34.5 90.11 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.67 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.721 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.4 mt -70.23 -44.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.828 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.48 -43.05 98.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.432 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 12' ' ' MET . . . -37.02 -47.65 1.35 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 14' ' ' GLY . 62.8 mt -44.23 -21.59 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.833 0.349 . . . . 0.0 110.771 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' GLY . 25.4 ttt -42.88 -51.4 5.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.316 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -67.93 -21.5 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.051 0.453 . . . . 0.0 110.603 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.96 -51.04 61.08 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.62 -32.53 69.43 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.17 -16.69 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.863 0.363 . . . . 0.0 110.659 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' ALA . 57.5 t -64.72 -53.57 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.14 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG22 HG13 ' A' ' 22' ' ' ILE . 96.3 mt -41.82 -19.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.77 0.319 . . . . 0.0 110.811 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.64 -55.34 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 21' ' ' VAL . 6.4 t -58.32 -41.96 85.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.139 0.495 . . . . 0.0 110.485 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 20' ' ' THR . 79.5 t -59.62 -49.45 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.01 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.449 HG13 HG22 ' A' ' 18' ' ' ILE . 79.0 mt -54.08 -33.54 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.921 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.516 HG22 HG22 ' B' ' 23' ' ' VAL . 58.4 t -77.31 -48.52 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.1 mt -51.91 -48.61 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 26' ' ' LEU . 8.2 t -66.62 -45.66 78.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' N ' HG23 ' A' ' 25' ' ' THR . 30.2 mt -58.98 -39.25 81.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.075 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG22 ' NZ ' ' B' ' 30' ' ' LYS . 32.5 t -56.33 -49.19 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.064 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LYS . 67.4 mtt -58.69 -32.08 68.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.765 0.317 . . . . 0.0 110.601 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.7 mt -79.7 -14.68 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 95.4 mttt -86.64 -9.92 54.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.674 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.62 18.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' MET . 64.8 tttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.487 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.75 90.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.26 97.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.625 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.82 -44.13 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.766 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.32 -42.85 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.236 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 12' ' ' MET . . . -37.02 -47.92 1.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' GLY . 61.1 mt -44.09 -21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.702 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 10' ' ' GLY . 25.2 ttt -42.84 -51.24 5.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.11 -21.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.06 0.457 . . . . 0.0 110.585 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.62 -50.97 61.78 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.59 -32.45 69.15 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -66.59 -16.88 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' ALA . 58.5 t -64.35 -53.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.158 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.464 HG22 HG13 ' B' ' 22' ' ' ILE . 96.1 mt -42.14 -19.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.726 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.94 -55.08 22.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.19 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.468 HG23 ' N ' ' B' ' 21' ' ' VAL . 6.1 t -58.23 -41.91 85.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.167 0.508 . . . . 0.0 110.397 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.468 ' N ' HG23 ' B' ' 20' ' ' THR . 75.9 t -59.89 -49.57 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.464 HG13 HG22 ' B' ' 18' ' ' ILE . 79.0 mt -54.08 -32.95 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.907 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 23' ' ' VAL . 59.6 t -77.58 -48.76 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.923 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.82 -48.71 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.856 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.539 HG23 ' N ' ' B' ' 26' ' ' LEU . 7.9 t -66.29 -45.71 79.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.597 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.539 ' N ' HG23 ' B' ' 25' ' ' THR . 29.4 mt -59.14 -39.27 81.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.179 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.57 HG22 ' NZ ' ' A' ' 30' ' ' LYS . 32.6 t -56.24 -49.38 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.979 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -58.55 -31.91 68.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.661 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.92 -14.85 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.648 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 95.3 mttt -86.56 -9.67 55.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.628 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.02 19.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.525 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.22 -33.42 75.16 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.02 82.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.615 0.245 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.54 -43.68 83.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.943 0.401 . . . . 0.0 110.725 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.64 -42.73 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.151 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.19 -52.77 1.65 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' GLY . 59.0 mt -45.08 -23.53 0.16 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.549 0.214 . . . . 0.0 111.238 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.25 -53.5 6.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.54 -21.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.527 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -60.2 -50.79 63.78 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.08 -33.84 81.19 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.94 -17.08 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.926 0.393 . . . . 0.0 110.716 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' ALA . 98.8 t -63.09 -52.21 61.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.396 -0.522 . . . . 0.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.408 HG22 HG13 ' A' ' 22' ' ' ILE . 96.3 mt -41.17 -20.78 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.115 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.842 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . -51.21 -55.72 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 5.8 t -57.91 -41.83 83.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 20' ' ' THR . 72.2 t -59.99 -48.7 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.745 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG13 HG22 ' A' ' 18' ' ' ILE . 84.9 mt -54.7 -36.99 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.723 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 27' ' ' VAL . 59.7 t -73.41 -48.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.0 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -52.48 -48.46 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.355 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 26' ' ' LEU . 7.1 t -67.55 -44.0 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.498 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' N ' HG23 ' A' ' 25' ' ' THR . 32.2 mt -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.648 HG22 ' NZ ' ' B' ' 30' ' ' LYS . 37.8 t -54.26 -55.23 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.951 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.9 mtt -52.82 -30.86 35.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.752 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.8 -17.15 48.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.582 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.667 ' HZ2' ' HZ2' ' B' ' 30' ' ' LYS . 96.5 mttt -86.05 -13.49 47.23 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.771 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.59 15.13 2.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.523 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.57 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.21 -33.44 75.2 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.05 82.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.645 0.26 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.55 -43.59 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.711 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.64 -42.74 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.141 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.28 -52.6 1.7 Allowed Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 14' ' ' GLY . 59.7 mt -45.24 -23.44 0.18 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.617 0.246 . . . . 0.0 111.345 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 27.4 ttt -44.49 -53.27 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.119 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 m -68.83 -21.76 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.227 0.537 . . . . 0.0 110.275 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' B' ' 11' ' ' LEU . . . -60.14 -50.92 62.44 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -33.78 80.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.14 -17.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' B' ' 19' ' ' ALA . 94.9 t -63.07 -52.23 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.769 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.42 HG22 HG13 ' B' ' 22' ' ' ILE . 96.3 mt -41.12 -20.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.772 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 17' ' ' VAL . . . -51.13 -55.73 16.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.906 0.384 . . . . 0.0 110.033 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.438 HG23 ' N ' ' B' ' 21' ' ' VAL . 5.8 t -57.87 -41.85 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.582 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.438 ' N ' HG23 ' B' ' 20' ' ' THR . 69.3 t -59.98 -48.81 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.846 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.42 HG13 HG22 ' B' ' 18' ' ' ILE . 85.0 mt -54.54 -36.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.673 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.486 ' O ' HG23 ' B' ' 27' ' ' VAL . 61.8 t -73.5 -48.33 41.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.05 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -52.49 -48.35 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.428 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 26' ' ' LEU . 6.9 t -67.54 -44.03 79.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.522 ' N ' HG23 ' B' ' 25' ' ' THR . 32.9 mt -60.47 -41.4 94.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.587 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.641 HG22 ' NZ ' ' A' ' 30' ' ' LYS . 37.7 t -54.2 -55.23 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.053 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -52.72 -30.98 35.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.732 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -81.72 -17.33 48.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.667 ' HZ2' ' HZ2' ' A' ' 30' ' ' LYS . 96.5 mttt -85.8 -13.64 47.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -138.27 14.83 2.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.556 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.73 -30.95 73.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.79 90.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 110.666 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.5 -43.12 91.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' MET . 35.1 mm -62.29 -42.84 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.341 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.29 -20.29 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ILE . 54.4 mt -77.87 -34.37 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.812 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ILE . 5.3 ttt -61.17 -63.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.676 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.62 -20.87 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.02 -56.6 19.82 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 17' ' ' VAL . . . -55.75 -39.16 75.73 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -47.24 -18.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.596 -0.355 . . . . 0.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' THR . 99.1 t -70.55 -23.69 24.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 CA-C-O 121.261 0.553 . . . . 0.0 110.24 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.82 -21.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -56.84 12.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.371 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 17' ' ' VAL . 2.0 t -48.97 -41.11 33.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.784 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' THR . 70.4 t -63.89 -50.64 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.085 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.5 -47.35 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 HG22 ' B' ' 23' ' ' VAL . 74.8 t -63.11 -44.18 99.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.498 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.16 -52.53 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.097 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -67.96 -36.9 80.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.189 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.269 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.0 t -48.94 -60.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.955 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mtt -54.36 -37.86 65.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.412 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.64 -32.67 71.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -64.49 -44.14 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -101.07 4.64 42.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.605 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.43 76.51 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.61 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.7 0.286 . . . . 0.0 110.721 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.38 -43.22 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.644 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' B' ' 12' ' ' MET . 35.2 mm -62.35 -42.8 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.354 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.21 -20.27 0.28 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' B' ' 9' ' ' ILE . 56.0 mt -77.72 -34.88 52.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.906 0.384 . . . . 0.0 110.798 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.501 ' N ' ' O ' ' B' ' 9' ' ' ILE . 5.4 ttt -60.94 -63.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 31.2 m -58.46 -20.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.97 -56.44 20.84 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' B' ' 17' ' ' VAL . . . -55.69 -39.35 75.75 Favored Glycine 0 N--CA 1.464 0.555 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.406 ' H ' HG23 ' B' ' 16' ' ' VAL . 20.7 t -47.24 -18.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 122.626 -0.338 . . . . 0.0 110.734 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.5 ' O ' HG22 ' B' ' 20' ' ' THR . 98.0 t -70.49 -23.73 24.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 121.307 0.575 . . . . 0.0 110.363 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.83 -21.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.207 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.36 -56.97 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.475 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.5 HG22 ' O ' ' B' ' 17' ' ' VAL . 2.0 t -49.04 -41.06 33.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.424 ' N ' ' CG2' ' B' ' 20' ' ' THR . 71.0 t -63.84 -50.4 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.147 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.73 -47.49 62.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 23' ' ' VAL . 78.3 t -63.01 -44.23 99.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.457 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.2 -52.31 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -68.03 -36.78 80.5 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.1 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.36 -48.38 82.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.293 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.98 -59.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 67.0 mtt -54.36 -37.8 65.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.77 -32.61 71.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.761 0.315 . . . . 0.0 111.199 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -64.54 -44.18 91.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.899 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -100.95 4.52 42.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.514 179.778 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 9' ' ' ILE . 66.0 tttm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.55 -32.71 85.09 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.58 -27.52 19.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.51 -43.87 83.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 120.945 0.403 . . . . 0.0 110.905 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 5' ' ' LYS . 2.2 pp -58.59 -41.15 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.273 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -36.99 -57.78 1.27 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 60.6 mt -40.92 -25.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.706 0.289 . . . . 0.0 110.589 -178.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLY . 28.5 ttt -52.65 -64.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 10' ' ' GLY . 15.0 m -63.14 -19.01 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -56.22 19.4 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.595 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.32 61.94 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.17 -18.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 110.788 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.2 -20.21 26.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 CA-C-O 121.477 0.656 . . . . 0.0 109.771 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.33 -22.4 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.794 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.57 -58.15 7.15 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -38.35 62.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.59 -50.04 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.885 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.25 -43.12 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.95 -41.03 86.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.845 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.4 -49.71 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.767 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -64.67 -37.6 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.466 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.09 -38.95 88.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.109 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.34 -22.48 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.645 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.7 mtt -76.4 -35.67 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.0 mm? -76.1 -16.95 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.45 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.49 -41.72 98.56 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.582 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -95.17 6.17 49.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.981 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.714 179.975 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.431 ' O ' HG23 ' B' ' 9' ' ' ILE . 66.0 tttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.36 -32.59 84.67 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.41 -27.67 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.633 0.254 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.57 -43.96 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.431 HG23 ' O ' ' B' ' 5' ' ' LYS . 2.2 pp -58.43 -40.95 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.181 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.474 ' O ' HG22 ' B' ' 13' ' ' VAL . . . -37.17 -57.8 1.33 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 mt -40.95 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.587 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' MET . . . . . 0.448 ' N ' ' O ' ' B' ' 10' ' ' GLY . 28.4 ttt -53.4 -64.17 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 10' ' ' GLY . 15.1 m -63.09 -19.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.579 179.624 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 17' ' ' VAL . . . -63.92 -56.11 20.55 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.581 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.15 -34.79 62.98 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -48.72 -18.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.769 0.319 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 14' ' ' GLY . 92.7 t -66.23 -20.16 26.79 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 121.532 0.682 . . . . 0.0 109.801 179.345 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.67 -22.3 29.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.745 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.09 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.903 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.44 62.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.42 -49.92 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.888 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.56 -43.16 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.82 -41.1 87.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.742 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mm -52.44 -49.66 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.426 ' H ' HG22 ' B' ' 25' ' ' THR . 1.5 t -64.79 -37.39 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.413 -179.209 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.22 -39.0 88.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.37 -22.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.657 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.27 -35.6 58.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.493 HD22 ' N ' ' B' ' 29' ' ' LEU . 4.0 mm? -76.28 -17.07 59.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.32 -41.49 98.91 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.579 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 32' ' ' LYS . 22.8 pttp -95.4 6.21 49.59 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 31' ' ' LYS . 6.7 ptmm? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.957 -1.02 . . . . 0.0 111.731 179.998 . . . . . . . . 1 1 . 1 stop_ save_