data_2o8z_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 2o8z _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.42 71.17 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 121.187 1.812 . . . . 0.0 113.236 -133.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.294 75.9 t60 -72.94 -31.93 64.92 Favored 'General case' 0 N--CA 1.515 2.808 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -41.03 98.11 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 123.437 2.835 . . . . 0.0 110.512 163.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.549 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -67.35 -52.08 44.44 Favored 'General case' 0 CA--C 1.61 3.276 2 N-CA-C 135.375 9.028 . . . . 0.0 135.375 145.182 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.489 0.0 OUTLIER -59.13 -27.23 65.43 Favored 'General case' 1 C--N 1.436 4.352 2 CA-C-N 137.947 9.43 . . . . 0.0 112.863 -176.295 . . . . . . . . 6 4 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 14.6 ptmt -51.87 -50.06 61.72 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 166.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.659 ' CD2' ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -72.77 -51.9 17.21 Favored 'General case' 0 C--N 1.374 1.667 1 N-CA-C 125.136 5.236 . . . . 0.0 125.136 -139.966 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.659 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 35.8 mmm -80.06 -52.47 7.76 Favored 'General case' 0 C--N 1.357 0.894 2 CA-C-N 126.708 4.322 . . . . 0.0 120.593 143.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.652 0.0 OUTLIER -74.24 -30.94 62.38 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 116.301 -1.809 . . . . 0.0 114.797 -160.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 35' ' ' ARG . 75.3 mt -73.9 -49.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.398 2.68 0 CA-C-N 122.941 2.61 . . . . 0.0 110.867 168.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm . . . . . 0 N--CA 1.534 3.728 0 O-C-N 117.243 -3.41 . . . . 0.0 112.737 -95.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.502 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.439 . . . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.65 59.9 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 122.148 2.249 . . . . 0.0 115.097 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.338 70.0 m-70 -74.03 -48.65 28.61 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 118.796 2.887 . . . . 0.0 118.796 157.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.581 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.429 0.0 OUTLIER -66.13 -36.44 83.15 Favored 'General case' 0 N--CA 1.514 2.77 0 CA-C-N 123.629 2.922 . . . . 0.0 116.31 175.331 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -51.82 53.48 Favored 'General case' 0 CA--C 1.599 2.841 2 N-CA-C 135.085 8.92 . . . . 0.0 135.085 135.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.493 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.998 0.0 OUTLIER -58.56 -27.14 64.31 Favored 'General case' 1 C--N 1.438 4.431 2 CA-C-N 137.257 9.117 . . . . 0.0 114.886 -177.814 . . . . . . . . 6 4 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 10.6 ptmt -53.37 -51.9 60.98 Favored 'General case' 0 CA--C 1.588 2.418 0 C-N-CA 114.808 -2.757 . . . . 0.0 118.313 164.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.715 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.334 0.0 OUTLIER -74.96 -53.86 8.23 Favored 'General case' 0 C--N 1.378 1.805 1 N-CA-C 125.845 5.498 . . . . 0.0 125.845 -126.884 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.715 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 30.8 ttm -79.06 -52.71 7.84 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 131.145 3.778 . . . . 0.0 118.197 150.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.599 0.0 OUTLIER -75.42 -45.12 40.81 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 126.199 1.8 . . . . 0.0 112.458 -166.395 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mt -75.09 -47.29 36.86 Favored 'Isoleucine or valine' 0 C--N 1.399 2.739 0 CA-C-N 123.302 2.774 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 37' ' ' LEU . 14.3 mt . . . . . 0 N--CA 1.517 2.877 0 CA-C-O 125.355 2.502 . . . . 0.0 111.717 166.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.475 . . . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.21 70.12 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 121.118 1.781 . . . . 0.0 114.753 168.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.324 39.1 m80 -71.1 -47.33 58.77 Favored 'General case' 0 N--CA 1.516 2.853 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 163.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.596 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.431 0.0 OUTLIER -68.17 -30.4 69.49 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 127.518 2.327 . . . . 0.0 113.119 173.132 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.837 HD21 HD12 ' A' ' 37' ' ' LEU 0.713 3.6 m120 -62.4 -31.37 72.04 Favored 'General case' 0 CA--C 1.601 2.905 2 N-CA-C 146.553 13.168 . . . . 0.0 146.553 128.571 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' HG3' HG13 ' A' ' 40' ' ' ILE 1.145 2.8 tpp85 -71.71 -26.22 62.4 Favored 'General case' 0 C--N 1.423 3.781 2 CA-C-N 134.961 8.073 . . . . 0.0 116.339 147.844 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 16.7 ptmt -54.05 -51.42 64.12 Favored 'General case' 0 CA--C 1.587 2.394 0 C-N-CA 114.142 -3.023 . . . . 0.0 119.042 168.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 1.035 HD21 ' HG2' ' A' ' 39' ' ' GLU 0.335 0.0 OUTLIER -72.15 -54.11 10.7 Favored 'General case' 0 N--CA 1.493 1.684 1 N-CA-C 128.537 6.495 . . . . 0.0 128.537 -122.981 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.887 ' H ' HD22 ' A' ' 37' ' ' LEU . 12.6 tmm? -78.84 -48.74 14.15 Favored 'General case' 0 N--CA 1.447 -0.58 1 C-N-CA 134.645 5.178 . . . . 0.0 112.334 131.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 1.035 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.794 2.1 pt-20 -57.43 -44.22 84.49 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.107 2.163 . . . . 0.0 114.598 -159.509 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 HG13 ' HG3' ' A' ' 35' ' ' ARG . 4.7 mt -75.92 -49.24 26.57 Favored 'Isoleucine or valine' 0 C--N 1.388 2.263 0 CA-C-N 124.18 3.173 . . . . 0.0 114.12 155.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.278 86.3 mt . . . . . 0 N--CA 1.514 2.738 0 C-N-CA 125.61 1.564 . . . . 0.0 112.66 -164.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . . . . . . 0 CA--C 1.52 -0.19 1 N-CA-C 125.501 5.371 . . . . 0.0 125.501 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.81 -28.26 21.84 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 123.627 2.921 . . . . 0.0 116.75 -126.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.8 t-80 -68.46 -49.34 60.58 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 122.588 2.449 . . . . 0.0 116.472 167.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU 0.318 0.0 OUTLIER -60.39 -44.57 95.52 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-N 124.208 3.185 . . . . 0.0 114.031 176.474 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.47 ' H ' ' HG3' ' A' ' 30' ' ' GLU 0.314 0.2 OUTLIER -61.62 -52.0 66.16 Favored 'General case' 0 CA--C 1.591 2.553 2 N-CA-C 132.309 7.892 . . . . 0.0 132.309 143.311 . . . . . . . . 5 4 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.427 ' HD2' ' OE2' ' A' ' 39' ' ' GLU 1.035 0.0 OUTLIER -61.77 -26.18 67.93 Favored 'General case' 1 C--N 1.431 4.145 2 CA-C-N 136.63 8.832 . . . . 0.0 116.133 -179.442 . . . . . . . . 6 4 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 6.7 ptpt -53.57 -52.56 59.33 Favored 'General case' 0 CA--C 1.598 2.809 0 C-N-CA 111.97 -3.892 . . . . 0.0 118.498 160.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.772 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.303 0.0 OUTLIER -76.16 -54.17 7.21 Favored 'General case' 0 C--N 1.38 1.896 1 N-CA-C 126.899 5.889 . . . . 0.0 126.899 -132.31 . . . . . . . . 5 4 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.772 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 17.8 tpp -80.06 -53.48 6.68 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 164.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' OE2' ' HD2' ' A' ' 35' ' ' ARG 0.519 0.0 OUTLIER -76.9 -48.54 17.95 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 128.588 2.755 . . . . 0.0 112.705 -172.915 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.327 22.5 mm -77.83 -42.72 28.85 Favored 'Isoleucine or valine' 0 C--N 1.397 2.633 0 CA-C-N 121.703 2.047 . . . . 0.0 115.973 -168.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 CA--C 1.598 2.804 0 C-N-CA 124.244 1.017 . . . . 0.0 111.801 178.352 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.483 . . . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.383 . . -60.86 -31.31 70.76 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 119.459 -2.026 . . . . 0.0 116.215 171.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.384 67.6 m-70 -75.29 -49.31 19.61 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 119.823 3.268 . . . . 0.0 119.823 154.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.437 0.0 OUTLIER -66.49 -36.3 82.4 Favored 'General case' 0 N--CA 1.52 3.039 0 CA-C-N 123.219 2.736 . . . . 0.0 116.944 176.118 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.269 0.2 OUTLIER -67.51 -51.43 51.06 Favored 'General case' 0 CA--C 1.593 2.628 2 N-CA-C 134.917 8.858 . . . . 0.0 134.917 134.422 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 40' ' ' ILE 0.976 0.0 OUTLIER -57.52 -27.99 63.06 Favored 'General case' 1 C--N 1.445 4.748 2 CA-C-N 137.918 9.417 . . . . 0.0 114.355 -176.85 . . . . . . . . 6 4 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.1 ptmt -53.0 -51.59 61.14 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 168.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.773 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.306 0.0 OUTLIER -74.26 -53.84 8.92 Favored 'General case' 0 C--N 1.375 1.692 1 N-CA-C 122.951 4.426 . . . . 0.0 122.951 -128.26 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.773 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 26.9 ttm -79.47 -53.12 7.2 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 131.033 3.733 . . . . 0.0 120.368 155.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.547 0.0 OUTLIER -75.82 -46.71 28.99 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 128.012 2.525 . . . . 0.0 112.128 -170.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 35' ' ' ARG 0.251 16.1 mt -75.53 -45.05 40.46 Favored 'Isoleucine or valine' 0 C--N 1.4 2.786 0 CA-C-N 123.419 2.827 . . . . 0.0 110.588 -177.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mt . . . . . 0 CA--C 1.609 3.221 0 CA-C-O 123.296 1.522 . . . . 0.0 109.504 159.381 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.502 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.457 . . . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.81 70.32 Favored 'General case' 0 CA--C 1.576 1.977 0 CA-C-N 121.988 2.176 . . . . 0.0 114.477 168.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -68.08 -49.23 62.54 Favored 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.927 2.936 . . . . 0.0 118.927 161.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.518 0.0 OUTLIER -65.56 -29.68 70.33 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 127.868 2.467 . . . . 0.0 113.834 171.984 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.818 ' ND2' HD12 ' A' ' 37' ' ' LEU 0.751 1.7 m-80 -62.02 -30.63 71.09 Favored 'General case' 0 CA--C 1.598 2.8 2 N-CA-C 148.022 13.712 . . . . 0.0 148.022 126.195 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.518 ' HG3' HG13 ' A' ' 40' ' ' ILE 1.151 2.5 tpp85 -72.77 -26.19 61.45 Favored 'General case' 0 C--N 1.42 3.666 2 CA-C-N 134.72 7.963 . . . . 0.0 116.841 147.052 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 16.5 ptmt -54.05 -51.11 65.11 Favored 'General case' 0 CA--C 1.581 2.146 0 N-CA-C 119.013 2.968 . . . . 0.0 119.013 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 1.051 HD21 ' HG2' ' A' ' 39' ' ' GLU 0.328 0.0 OUTLIER -71.91 -54.02 11.31 Favored 'General case' 0 CA--C 1.569 1.695 1 N-CA-C 128.709 6.559 . . . . 0.0 128.709 -122.936 . . . . . . . . 5 4 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.938 ' H ' HD22 ' A' ' 37' ' ' LEU . 12.4 tmm? -78.74 -48.92 13.97 Favored 'General case' 0 N--CA 1.449 -0.52 1 C-N-CA 134.765 5.226 . . . . 0.0 112.465 131.181 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 1.051 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.778 1.8 pt-20 -57.05 -44.44 82.98 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.58 2.352 . . . . 0.0 114.49 -159.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.518 HG13 ' HG3' ' A' ' 35' ' ' ARG . 10.5 mt -76.27 -49.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.388 2.262 0 CA-C-N 124.358 3.254 . . . . 0.0 114.552 154.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.277 87.3 mt . . . . . 0 N--CA 1.515 2.787 0 C-N-CA 125.629 1.572 . . . . 0.0 112.774 -164.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.593 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.317 . . . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.84 65.71 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 120.914 1.688 . . . . 0.0 112.924 170.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.4 m-70 -65.99 -47.12 75.6 Favored 'General case' 0 N--CA 1.521 3.08 0 C-N-CA 129.0 2.92 . . . . 0.0 118.505 164.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.593 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.88 -48.29 75.86 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 128.803 2.841 . . . . 0.0 105.544 168.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.75 ' ND2' HD12 ' A' ' 37' ' ' LEU 0.888 2.1 m-80 -53.84 -27.08 27.55 Favored 'General case' 0 CA--C 1.588 2.437 2 N-CA-C 142.43 11.641 . . . . 0.0 142.43 146.573 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 40' ' ' ILE 1.077 0.2 OUTLIER -75.18 -28.31 60.0 Favored 'General case' 1 C--N 1.429 4.043 2 CA-C-N 134.581 7.901 . . . . 0.0 118.593 133.164 . . . . . . . . 6 4 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 1.2 ptmt -55.7 -51.42 67.36 Favored 'General case' 0 C--N 1.39 2.367 0 CA-C-N 124.563 3.347 . . . . 0.0 119.321 174.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 1.055 HD21 ' HG2' ' A' ' 39' ' ' GLU 0.325 0.0 OUTLIER -69.09 -52.95 23.12 Favored 'General case' 0 CA--C 1.574 1.892 1 N-CA-C 128.87 6.619 . . . . 0.0 128.87 -123.557 . . . . . . . . 5 4 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.999 ' H ' HD22 ' A' ' 37' ' ' LEU . 13.4 tmm? -78.21 -47.83 17.14 Favored 'General case' 0 N--CA 1.448 -0.533 1 C-N-CA 133.953 4.901 . . . . 0.0 111.924 131.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 1.055 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.839 3.2 pt-20 -57.86 -43.62 86.07 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.147 2.579 . . . . 0.0 115.688 -160.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 35' ' ' ARG . 95.3 mt -75.72 -50.48 23.32 Favored 'Isoleucine or valine' 0 C--N 1.392 2.444 0 CA-C-N 124.393 3.269 . . . . 0.0 112.857 151.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.311 86.2 mt . . . . . 0 N--CA 1.514 2.743 0 CA-C-N 119.632 1.105 . . . . 0.0 113.179 -158.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.779 ' HE2' ' HD2' ' A' ' 33' ' ' LYS . . . . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.67 69.87 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 120.248 1.386 . . . . 0.0 114.543 -136.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -71.81 -44.96 63.03 Favored 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 127.871 2.468 . . . . 0.0 116.524 169.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.779 ' HD2' ' HE2' ' A' ' 30' ' ' GLU . 1.2 pptp? -64.86 -31.51 72.77 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 123.161 2.71 . . . . 0.0 114.619 170.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.89 -53.38 18.27 Favored 'General case' 0 CA--C 1.585 2.291 2 N-CA-C 134.678 8.77 . . . . 0.0 134.678 133.432 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.51 0.0 OUTLIER -61.94 -25.94 67.9 Favored 'General case' 0 C--N 1.419 3.628 2 CA-C-N 138.967 9.894 . . . . 0.0 114.411 -168.655 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG3' ' HA ' ' A' ' 37' ' ' LEU 0.261 6.0 ptmt -50.42 -44.89 55.44 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 163.308 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.784 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -70.87 -53.22 15.95 Favored 'General case' 0 CA--C 1.561 1.382 1 N-CA-C 130.964 7.394 . . . . 0.0 130.964 -142.741 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.784 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 19.9 mmm -79.67 -52.49 7.9 Favored 'General case' 0 C--N 1.344 0.363 2 CA-C-N 127.694 4.77 . . . . 0.0 119.1 141.1 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HE2' HD22 ' A' ' 34' ' ' ASN 0.532 0.0 OUTLIER -74.39 -35.84 63.49 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.525 1.93 . . . . 0.0 112.723 -160.333 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.28 6.8 mt -75.99 -32.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.393 2.47 0 CA-C-N 122.474 2.397 . . . . 0.0 116.217 177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.528 3.467 0 CA-C-N 120.261 1.391 . . . . 0.0 113.65 -143.569 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.783 ' HE2' ' HD2' ' A' ' 33' ' ' LYS . . . . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.43 68.52 Favored 'General case' 0 C--N 1.366 1.286 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -136.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.7 -45.89 60.44 Favored 'General case' 0 N--CA 1.505 2.282 0 C-N-CA 127.999 2.52 . . . . 0.0 117.164 168.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.783 ' HD2' ' HE2' ' A' ' 30' ' ' GLU 0.254 1.2 pptp? -64.19 -31.62 72.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 122.475 2.398 . . . . 0.0 114.751 170.187 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.598 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -70.57 -53.17 17.07 Favored 'General case' 0 CA--C 1.583 2.228 2 N-CA-C 134.56 8.726 . . . . 0.0 134.56 133.344 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -61.51 -26.29 67.82 Favored 'General case' 0 C--N 1.421 3.705 2 CA-C-N 139.18 9.991 . . . . 0.0 113.895 -168.348 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HG3' ' HA ' ' A' ' 37' ' ' LEU 0.273 8.4 ptmt -50.42 -44.51 55.28 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 165.275 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.761 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.384 0.3 OUTLIER -70.37 -52.84 19.58 Favored 'General case' 0 CA--C 1.559 1.299 1 N-CA-C 130.333 7.161 . . . . 0.0 130.333 -143.827 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.761 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 34.6 mmm -79.88 -52.72 7.53 Favored 'General case' 0 C--N 1.345 0.373 2 CA-C-N 128.177 4.989 . . . . 0.0 119.66 139.518 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.548 ' HE2' HD22 ' A' ' 34' ' ' ASN 0.563 0.0 OUTLIER -74.53 -34.27 62.95 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 126.566 1.946 . . . . 0.0 113.31 -158.766 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 mt -75.58 -33.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.394 2.534 0 CA-C-N 122.528 2.422 . . . . 0.0 114.006 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm . . . . . 0 N--CA 1.527 3.386 0 CA-C-N 120.511 1.505 . . . . 0.0 112.908 -147.136 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . . . . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 118.8 2.889 . . . . 0.0 118.8 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.33 64.87 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 120.947 1.703 . . . . 0.0 114.303 -167.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.562 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.251 56.3 m-70 -74.52 -50.71 17.09 Favored 'General case' 0 C--N 1.378 1.847 0 CA-C-O 113.372 -3.204 . . . . 0.0 116.506 157.294 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 30' ' ' GLU 0.423 0.0 OUTLIER -59.59 -43.3 93.73 Favored 'General case' 0 N--CA 1.532 3.662 1 CA-C-N 127.037 4.471 . . . . 0.0 112.069 -175.821 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -60.33 -51.44 69.5 Favored 'General case' 0 CA--C 1.602 2.943 2 N-CA-C 134.799 8.814 . . . . 0.0 134.799 145.162 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.648 0.0 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 1 C--N 1.438 4.447 2 CA-C-N 137.192 9.087 . . . . 0.0 111.105 179.739 . . . . . . . . 5 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 32' ' ' HIS 0.252 3.3 ptpt -53.04 -50.46 64.25 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 171.367 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.536 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.363 0.0 OUTLIER -69.77 -53.07 20.03 Favored 'General case' 0 C--N 1.372 1.574 1 N-CA-C 122.859 4.392 . . . . 0.0 122.859 -132.003 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.536 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 4.8 ttp -78.32 -50.93 10.89 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-N 123.796 2.998 . . . . 0.0 115.907 154.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.73 0.1 OUTLIER -73.02 -47.4 45.28 Favored 'General case' 0 C--N 1.368 1.399 0 CA-C-O 117.263 -1.351 . . . . 0.0 111.817 -161.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -48.7 38.13 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-N 122.754 2.525 . . . . 0.0 109.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 mt . . . . . 0 CA--C 1.601 2.922 0 C-N-CA 126.36 1.864 . . . . 0.0 109.896 166.362 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--O 1.233 0.235 1 N-CA-C 124.233 4.901 . . . . 0.0 124.233 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.56 70.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 122.38 2.355 . . . . 0.0 111.852 -163.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.544 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 50.0 m80 -73.36 -27.31 61.42 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 120.235 3.42 . . . . 0.0 120.235 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -63.64 -50.4 69.47 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 125.768 3.894 . . . . 0.0 105.458 167.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.677 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.03 -52.3 66.1 Favored 'General case' 0 CA--C 1.608 3.184 2 N-CA-C 139.657 10.614 . . . . 0.0 139.657 155.68 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.567 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.69 10.9 tpp85 -69.67 -28.07 65.56 Favored 'General case' 1 C--N 1.463 5.539 1 CA-C-N 135.966 8.53 . . . . 0.0 108.991 179.849 . . . . . . . . 5 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.5 mtpt -51.16 -51.59 52.18 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 121.285 3.809 . . . . 0.0 121.285 164.562 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' A' ' 34' ' ' ASN 0.486 0.0 OUTLIER -69.91 -54.3 14.02 Favored 'General case' 0 N--CA 1.502 2.157 1 N-CA-C 126.132 5.604 . . . . 0.0 126.132 -139.848 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.567 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 29.2 ttp -78.86 -49.77 12.35 Favored 'General case' 0 C--N 1.349 0.563 1 C-N-CA 133.504 4.722 . . . . 0.0 112.884 144.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.567 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.962 9.2 pt-20 -68.58 -33.44 74.07 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.707 -160.033 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 35' ' ' ARG . 89.8 mt -77.78 -50.69 19.47 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.32 3.691 . . . . 0.0 111.528 155.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.338 36.8 mt . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 122.687 1.232 . . . . 0.0 113.339 -159.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--O 1.232 0.171 1 N-CA-C 124.261 4.911 . . . . 0.0 124.261 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.6 70.49 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.442 2.383 . . . . 0.0 111.865 -163.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.546 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 51.0 m80 -73.34 -27.24 61.4 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 120.282 3.438 . . . . 0.0 120.282 174.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -63.73 -50.43 69.16 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 125.779 3.899 . . . . 0.0 105.385 167.627 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.676 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -57.99 -52.39 65.72 Favored 'General case' 0 CA--C 1.607 3.14 2 N-CA-C 139.595 10.591 . . . . 0.0 139.595 155.716 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.572 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.69 10.8 tpp85 -69.54 -28.14 65.76 Favored 'General case' 1 C--N 1.465 5.607 1 CA-C-N 136.03 8.559 . . . . 0.0 108.962 179.916 . . . . . . . . 5 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.4 mtpt -51.19 -51.55 52.71 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 121.358 3.836 . . . . 0.0 121.358 164.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.676 HD11 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.76 -54.29 14.38 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.155 5.613 . . . . 0.0 126.155 -140.011 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.568 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 28.8 ttp -78.85 -49.78 12.35 Favored 'General case' 0 N--CA 1.447 -0.577 1 C-N-CA 133.501 4.72 . . . . 0.0 112.899 144.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.572 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.962 9.1 pt-20 -68.55 -33.5 74.2 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 115.428 -2.225 . . . . 0.0 113.61 -159.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.2 mt -77.8 -50.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.345 3.702 . . . . 0.0 111.557 155.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 36.1 mt . . . . . 0 N--CA 1.525 3.28 0 CA-C-O 122.76 1.267 . . . . 0.0 113.354 -159.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.64 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--O 1.232 0.164 1 N-CA-C 124.274 4.916 . . . . 0.0 124.274 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.5 70.54 Favored 'General case' 0 CA--C 1.57 1.73 0 CA-C-N 122.446 2.384 . . . . 0.0 111.72 -163.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.547 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.337 10.7 m80 -73.18 -26.98 61.39 Favored 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 174.033 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -64.05 -50.47 68.27 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 116.607 -3.808 . . . . 0.0 105.294 167.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.678 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.17 -52.36 65.89 Favored 'General case' 0 CA--C 1.608 3.174 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.202 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.572 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.687 10.6 tpp85 -69.29 -28.11 65.99 Favored 'General case' 1 C--N 1.464 5.55 1 CA-C-N 135.98 8.536 . . . . 0.0 108.995 179.408 . . . . . . . . 5 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 27.1 mtpt -51.32 -51.51 53.72 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 121.336 3.828 . . . . 0.0 121.336 164.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.9 -54.23 14.37 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.197 5.628 . . . . 0.0 126.197 -139.86 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.567 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 29.9 ttp -78.85 -49.82 12.28 Favored 'General case' 0 C--N 1.35 0.625 1 C-N-CA 133.514 4.726 . . . . 0.0 112.81 144.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.572 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.962 9.3 pt-20 -68.57 -33.44 74.09 Favored 'General case' 0 CA--C 1.569 1.678 0 CA-C-O 115.471 -2.204 . . . . 0.0 113.739 -159.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.0 mt -77.81 -50.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.408 3.113 0 CA-C-N 125.306 3.685 . . . . 0.0 111.567 155.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 35.4 mt . . . . . 0 N--CA 1.525 3.308 0 CA-C-O 122.679 1.228 . . . . 0.0 113.345 -159.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--O 1.233 0.187 1 N-CA-C 124.31 4.93 . . . . 0.0 124.31 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.62 -46.51 70.47 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-N 122.369 2.35 . . . . 0.0 111.807 -163.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.553 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.344 11.3 m80 -73.11 -27.01 61.45 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 173.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.641 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -64.06 -50.39 68.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 116.549 -3.845 . . . . 0.0 105.416 167.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.666 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.22 -52.34 65.98 Favored 'General case' 0 CA--C 1.608 3.197 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.073 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.587 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.683 10.7 tpp85 -69.29 -28.27 66.14 Favored 'General case' 1 C--N 1.466 5.631 1 CA-C-N 135.981 8.537 . . . . 0.0 108.876 179.494 . . . . . . . . 5 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 15.8 mtpt -51.3 -51.46 54.1 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 121.426 3.862 . . . . 0.0 121.426 164.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 34' ' ' ASN 0.494 0.0 OUTLIER -69.89 -54.31 14.01 Favored 'General case' 0 N--CA 1.502 2.132 1 N-CA-C 126.414 5.709 . . . . 0.0 126.414 -139.729 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.547 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 12.7 tmm? -79.09 -49.28 12.87 Favored 'General case' 0 N--CA 1.447 -0.588 1 C-N-CA 133.702 4.801 . . . . 0.0 113.216 143.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.587 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.967 9.6 pt-20 -67.03 -34.13 77.04 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 115.319 -2.277 . . . . 0.0 113.799 -161.606 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.8 mt -77.95 -50.66 19.33 Favored 'Isoleucine or valine' 0 C--N 1.408 3.14 0 CA-C-N 125.417 3.735 . . . . 0.0 111.651 155.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.34 36.9 mt . . . . . 0 N--CA 1.525 3.295 0 CA-C-O 122.637 1.208 . . . . 0.0 113.303 -159.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.51 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.32 . . . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.27 -33.17 65.22 Favored 'General case' 0 CA--C 1.587 2.385 0 CA-C-N 120.295 1.407 . . . . 0.0 112.659 168.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -72.83 -31.83 65.06 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 123.417 4.599 . . . . 0.0 123.417 162.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -70.91 -41.22 71.52 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 130.345 3.458 . . . . 0.0 110.254 164.169 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 1.078 HD21 HD12 ' A' ' 37' ' ' LEU 0.666 20.4 m120 -62.67 -29.56 70.73 Favored 'General case' 0 CA--C 1.603 2.992 2 N-CA-C 145.87 12.915 . . . . 0.0 145.87 139.27 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.02 1.9 tpp85 -71.24 -25.87 62.66 Favored 'General case' 1 C--N 1.43 4.066 2 CA-C-N 135.643 8.383 . . . . 0.0 116.636 147.171 . . . . . . . . 4 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -52.5 -51.39 59.71 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 113.759 -3.176 . . . . 0.0 117.844 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 1.078 HD12 HD21 ' A' ' 34' ' ' ASN 0.337 0.0 OUTLIER -72.59 -53.84 10.79 Favored 'General case' 0 N--CA 1.5 2.05 1 N-CA-C 128.65 6.537 . . . . 0.0 128.65 -119.607 . . . . . . . . 5 4 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 1.003 ' H ' HD22 ' A' ' 37' ' ' LEU . 13.3 tmm? -78.44 -50.12 12.24 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 131.521 3.928 . . . . 0.0 112.088 137.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.666 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.717 0.3 OUTLIER -62.44 -44.52 96.22 Favored 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 128.969 2.907 . . . . 0.0 113.538 -156.422 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mt -76.02 -46.46 34.4 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-N 123.458 2.844 . . . . 0.0 113.359 161.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.522 3.162 0 CA-C-N 120.507 1.503 . . . . 0.0 109.512 -172.658 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.453 . . . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.304 . . -58.49 -30.8 67.3 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 121.741 2.064 . . . . 0.0 115.915 176.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.367 68.4 m-70 -74.95 -48.88 22.17 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 156.291 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.44 0.0 OUTLIER -66.02 -36.28 82.84 Favored 'General case' 0 N--CA 1.518 2.965 0 CA-C-N 123.388 2.813 . . . . 0.0 116.342 175.646 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -51.79 48.16 Favored 'General case' 0 CA--C 1.587 2.388 2 N-CA-C 135.741 9.163 . . . . 0.0 135.741 134.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.563 ' O ' HG13 ' A' ' 40' ' ' ILE 0.913 0.1 OUTLIER -57.04 -29.5 63.44 Favored 'General case' 1 C--N 1.448 4.851 2 CA-C-N 137.715 9.325 . . . . 0.0 113.483 -176.104 . . . . . . . . 6 4 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.4 ptmt -52.52 -51.35 59.98 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.808 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.298 0.0 OUTLIER -74.02 -53.11 10.73 Favored 'General case' 0 CA--C 1.569 1.711 1 N-CA-C 123.004 4.446 . . . . 0.0 123.004 -134.019 . . . . . . . . 5 4 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.808 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 31.3 ttm -78.55 -52.07 9.02 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 130.121 3.368 . . . . 0.0 117.071 161.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.515 0.0 OUTLIER -74.82 -45.25 44.58 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 129.313 3.045 . . . . 0.0 111.85 -172.471 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 35' ' ' ARG 0.261 2.9 mt -76.34 -49.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.406 3.04 0 CA-C-N 125.654 3.843 . . . . 0.0 113.676 -177.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.603 3.014 0 C-N-CA 127.148 2.179 . . . . 0.0 108.216 150.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 118.3 2.704 . . . . 0.0 118.3 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.97 64.04 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -120.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -68.81 -46.78 67.74 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 121.744 2.066 . . . . 0.0 116.11 170.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -32.2 71.54 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 122.815 2.552 . . . . 0.0 115.582 170.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.602 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -70.31 -53.37 17.04 Favored 'General case' 0 CA--C 1.581 2.168 2 N-CA-C 135.28 8.992 . . . . 0.0 135.28 131.477 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.516 0.0 OUTLIER -62.1 -25.74 67.89 Favored 'General case' 0 C--N 1.416 3.474 2 CA-C-N 139.005 9.912 . . . . 0.0 114.622 -167.606 . . . . . . . . 5 4 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG3' ' HA ' ' A' ' 37' ' ' LEU 0.268 7.0 ptmt -50.65 -45.11 57.72 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 163.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.783 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -71.04 -53.09 15.94 Favored 'General case' 0 CA--C 1.561 1.37 1 N-CA-C 130.663 7.283 . . . . 0.0 130.663 -142.761 . . . . . . . . 5 4 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.783 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 36.2 mmm -79.7 -52.46 7.92 Favored 'General case' 0 C--N 1.345 0.372 2 CA-C-N 127.725 4.784 . . . . 0.0 119.152 141.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.555 ' HE2' HD22 ' A' ' 34' ' ' ASN 0.525 0.0 OUTLIER -74.52 -36.29 63.19 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.785 2.034 . . . . 0.0 112.808 -160.962 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.285 7.0 mt -76.03 -32.1 22.73 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-N 122.61 2.459 . . . . 0.0 116.114 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.528 3.429 0 CA-C-N 120.18 1.355 . . . . 0.0 113.707 -144.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.514 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.319 . . . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.92 65.57 Favored 'General case' 0 CA--C 1.584 2.281 0 CA-C-N 120.334 1.425 . . . . 0.0 112.741 168.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -72.48 -33.71 67.18 Favored 'General case' 0 N--CA 1.524 3.241 1 N-CA-C 122.728 4.344 . . . . 0.0 122.728 162.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -69.45 -41.83 75.72 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 130.047 3.339 . . . . 0.0 110.261 165.103 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 1.009 HD21 HD12 ' A' ' 37' ' ' LEU 0.716 19.5 m120 -60.77 -29.48 69.44 Favored 'General case' 0 CA--C 1.601 2.912 2 N-CA-C 146.032 12.975 . . . . 0.0 146.032 138.76 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.051 1.5 tpp85 -71.51 -25.85 62.42 Favored 'General case' 0 C--N 1.428 3.986 2 CA-C-N 135.348 8.249 . . . . 0.0 117.079 145.617 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -52.48 -51.34 59.9 Favored 'General case' 0 CA--C 1.593 2.597 0 C-N-CA 113.374 -3.33 . . . . 0.0 117.841 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 1.046 HD22 ' H ' ' A' ' 38' ' ' MET 0.338 0.0 OUTLIER -72.07 -53.71 12.03 Favored 'General case' 0 N--CA 1.501 2.106 1 N-CA-C 129.184 6.735 . . . . 0.0 129.184 -119.732 . . . . . . . . 5 4 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 1.046 ' H ' HD22 ' A' ' 37' ' ' LEU . 13.6 tmm? -78.46 -50.2 12.08 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 125.934 3.97 . . . . 0.0 112.239 136.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.679 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.713 0.3 OUTLIER -61.55 -44.67 96.62 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 129.313 3.045 . . . . 0.0 113.699 -157.167 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.12 -46.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.391 2.413 0 CA-C-N 123.577 2.899 . . . . 0.0 113.336 161.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.521 3.124 0 CA-C-N 120.676 1.58 . . . . 0.0 109.509 -173.608 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.616 . . . . . . . 0 N--CA 1.454 -0.257 1 N-CA-C 122.35 4.204 . . . . 0.0 122.35 . . . . . . . . . 2 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.4 88.99 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 -165.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.483 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.286 80.7 m-70 -74.09 -49.76 22.53 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 115.293 -2.289 . . . . 0.0 116.39 163.066 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.266 2.8 ptmm? -63.48 -36.4 83.64 Favored 'General case' 0 N--CA 1.509 2.524 0 CA-C-N 124.587 3.358 . . . . 0.0 112.66 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.491 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -66.63 -53.09 37.81 Favored 'General case' 0 CA--C 1.596 2.714 2 N-CA-C 132.985 8.143 . . . . 0.0 132.985 139.392 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.528 0.4 OUTLIER -60.02 -25.52 65.36 Favored 'General case' 0 C--N 1.426 3.92 2 CA-C-N 139.496 10.135 . . . . 0.0 113.317 -174.843 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.51 ' HA ' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -51.57 -50.26 60.45 Favored 'General case' 0 CA--C 1.596 2.734 0 C-N-CA 113.129 -3.428 . . . . 0.0 116.445 163.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.783 ' CD2' ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -59.68 -52.78 64.02 Favored 'General case' 0 CA--C 1.563 1.466 1 N-CA-C 126.174 5.62 . . . . 0.0 126.174 -121.724 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.783 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 58.0 mtm -79.38 -50.45 10.81 Favored 'General case' 0 C--N 1.353 0.745 1 C-N-CA 131.962 4.105 . . . . 0.0 118.372 140.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.63 1.0 OUTLIER -68.76 -38.15 79.86 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.921 1.688 . . . . 0.0 113.549 -155.08 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.51 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 6.8 mm -75.69 -37.8 36.73 Favored 'Isoleucine or valine' 0 C--N 1.385 2.126 0 CA-C-N 120.747 1.612 . . . . 0.0 113.984 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mm . . . . . 0 N--CA 1.522 3.154 0 O-C-N 119.363 -2.085 . . . . 0.0 114.359 -104.043 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . . . . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 120.611 3.56 . . . . 0.0 120.611 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -31.59 60.79 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.282 1.856 . . . . 0.0 114.566 -165.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.694 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.5 m-70 -75.13 -51.78 12.61 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 112.726 -3.511 . . . . 0.0 116.258 155.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 30' ' ' GLU 0.693 0.0 OUTLIER -60.08 -40.71 90.47 Favored 'General case' 0 N--CA 1.529 3.505 1 CA-C-N 128.62 5.191 . . . . 0.0 114.568 -178.106 . . . . . . . . 5 4 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.588 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.09 -52.76 62.6 Favored 'General case' 0 CA--C 1.584 2.272 2 N-CA-C 134.235 8.606 . . . . 0.0 134.235 141.968 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.773 0.0 OUTLIER -63.56 -28.67 70.1 Favored 'General case' 1 C--N 1.432 4.166 2 CA-C-N 137.671 9.305 . . . . 0.0 112.543 -171.72 . . . . . . . . 5 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 3.2 ptmt -53.26 -50.98 63.7 Favored 'General case' 0 CA--C 1.582 2.211 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 167.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.659 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.275 0.0 OUTLIER -63.37 -53.41 52.9 Favored 'General case' 0 N--CA 1.506 2.329 1 N-CA-C 125.063 5.209 . . . . 0.0 125.063 -119.664 . . . . . . . . 5 4 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.659 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 9.7 tpp -78.39 -50.21 12.14 Favored 'General case' 0 C--N 1.366 1.301 0 CA-C-N 125.126 3.603 . . . . 0.0 116.85 153.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.797 0.6 OUTLIER -73.36 -44.47 58.62 Favored 'General case' 0 CA--C 1.572 1.819 0 C-N-CA 127.088 2.155 . . . . 0.0 116.1 -161.512 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 15.4 mm -76.13 -47.22 32.07 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 CA-C-N 122.212 2.278 . . . . 0.0 114.158 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.296 91.9 mt . . . . . 0 N--CA 1.516 2.828 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -151.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.02 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -59.84 -35.19 74.25 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.42 71.17 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 121.187 1.812 . . . . 0.0 113.236 -133.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.294 75.9 t60 -72.94 -31.93 64.92 Favored 'General case' 0 N--CA 1.515 2.808 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -41.03 98.11 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 123.437 2.835 . . . . 0.0 110.512 163.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.549 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -67.35 -52.08 44.44 Favored 'General case' 0 CA--C 1.61 3.276 2 N-CA-C 135.375 9.028 . . . . 0.0 135.375 145.182 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.489 0.0 OUTLIER -59.13 -27.23 65.43 Favored 'General case' 1 C--N 1.436 4.352 2 CA-C-N 137.947 9.43 . . . . 0.0 112.863 -176.295 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 14.6 ptmt -51.87 -50.06 61.72 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 166.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.659 ' CD2' ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -72.77 -51.9 17.21 Favored 'General case' 0 C--N 1.374 1.667 1 N-CA-C 125.136 5.236 . . . . 0.0 125.136 -139.966 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.659 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 35.8 mmm -80.06 -52.47 7.76 Favored 'General case' 0 C--N 1.357 0.894 2 CA-C-N 126.708 4.322 . . . . 0.0 120.593 143.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.652 0.0 OUTLIER -74.24 -30.94 62.38 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 116.301 -1.809 . . . . 0.0 114.797 -160.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 35' ' ' ARG . 75.3 mt -73.9 -49.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.398 2.68 0 CA-C-N 122.941 2.61 . . . . 0.0 110.867 168.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm -53.31 -29.48 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.728 0 O-C-N 117.243 -3.41 . . . . 0.0 112.737 -95.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.51 0 O-C-N 120.759 -1.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.502 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.439 . . -54.38 -33.89 60.1 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.65 59.9 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 122.148 2.249 . . . . 0.0 115.097 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.338 70.0 m-70 -74.03 -48.65 28.61 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 118.796 2.887 . . . . 0.0 118.796 157.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.581 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.429 0.0 OUTLIER -66.13 -36.44 83.15 Favored 'General case' 0 N--CA 1.514 2.77 0 CA-C-N 123.629 2.922 . . . . 0.0 116.31 175.331 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -51.82 53.48 Favored 'General case' 0 CA--C 1.599 2.841 2 N-CA-C 135.085 8.92 . . . . 0.0 135.085 135.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.493 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.998 0.0 OUTLIER -58.56 -27.14 64.31 Favored 'General case' 1 C--N 1.438 4.431 2 CA-C-N 137.257 9.117 . . . . 0.0 114.886 -177.814 . . . . . . . . 6 4 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 10.6 ptmt -53.37 -51.9 60.98 Favored 'General case' 0 CA--C 1.588 2.418 0 C-N-CA 114.808 -2.757 . . . . 0.0 118.313 164.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.715 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.334 0.0 OUTLIER -74.96 -53.86 8.23 Favored 'General case' 0 C--N 1.378 1.805 1 N-CA-C 125.845 5.498 . . . . 0.0 125.845 -126.884 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.715 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 30.8 ttm -79.06 -52.71 7.84 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 131.145 3.778 . . . . 0.0 118.197 150.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.599 0.0 OUTLIER -75.42 -45.12 40.81 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 126.199 1.8 . . . . 0.0 112.458 -166.395 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mt -75.09 -47.29 36.86 Favored 'Isoleucine or valine' 0 C--N 1.399 2.739 0 CA-C-N 123.302 2.774 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 37' ' ' LEU . 14.3 mt -56.8 -7.29 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.877 0 CA-C-O 125.355 2.502 . . . . 0.0 111.717 166.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.514 0 CA-C-N 112.614 -2.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.475 . . -49.96 -30.38 10.27 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.21 70.12 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 121.118 1.781 . . . . 0.0 114.753 168.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.324 39.1 m80 -71.1 -47.33 58.77 Favored 'General case' 0 N--CA 1.516 2.853 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 163.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.596 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.431 0.0 OUTLIER -68.17 -30.4 69.49 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 127.518 2.327 . . . . 0.0 113.119 173.132 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.837 HD21 HD12 ' A' ' 37' ' ' LEU 0.713 3.6 m120 -62.4 -31.37 72.04 Favored 'General case' 0 CA--C 1.601 2.905 2 N-CA-C 146.553 13.168 . . . . 0.0 146.553 128.571 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' HG3' HG13 ' A' ' 40' ' ' ILE 1.145 2.8 tpp85 -71.71 -26.22 62.4 Favored 'General case' 0 C--N 1.423 3.781 2 CA-C-N 134.961 8.073 . . . . 0.0 116.339 147.844 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 16.7 ptmt -54.05 -51.42 64.12 Favored 'General case' 0 CA--C 1.587 2.394 0 C-N-CA 114.142 -3.023 . . . . 0.0 119.042 168.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 1.035 HD21 ' HG2' ' A' ' 39' ' ' GLU 0.335 0.0 OUTLIER -72.15 -54.11 10.7 Favored 'General case' 0 N--CA 1.493 1.684 1 N-CA-C 128.537 6.495 . . . . 0.0 128.537 -122.981 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.887 ' H ' HD22 ' A' ' 37' ' ' LEU . 12.6 tmm? -78.84 -48.74 14.15 Favored 'General case' 0 N--CA 1.447 -0.58 1 C-N-CA 134.645 5.178 . . . . 0.0 112.334 131.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 1.035 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.794 2.1 pt-20 -57.43 -44.22 84.49 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.107 2.163 . . . . 0.0 114.598 -159.509 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 HG13 ' HG3' ' A' ' 35' ' ' ARG . 4.7 mt -75.92 -49.24 26.57 Favored 'Isoleucine or valine' 0 C--N 1.388 2.263 0 CA-C-N 124.18 3.173 . . . . 0.0 114.12 155.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.278 86.3 mt -61.8 -13.98 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.738 0 C-N-CA 125.61 1.564 . . . . 0.0 112.66 -164.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.814 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.188 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . -30.31 -47.99 0.09 Allowed 'General case' 0 C--N 1.358 0.972 2 N-CA-C 125.501 5.371 . . . . 0.0 125.501 . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.81 -28.26 21.84 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 123.627 2.921 . . . . 0.0 116.75 -126.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.8 t-80 -68.46 -49.34 60.58 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 122.588 2.449 . . . . 0.0 116.472 167.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU 0.318 0.0 OUTLIER -60.39 -44.57 95.52 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-N 124.208 3.185 . . . . 0.0 114.031 176.474 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.47 ' H ' ' HG3' ' A' ' 30' ' ' GLU 0.314 0.2 OUTLIER -61.62 -52.0 66.16 Favored 'General case' 0 CA--C 1.591 2.553 2 N-CA-C 132.309 7.892 . . . . 0.0 132.309 143.311 . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' HD2' ' OE2' ' A' ' 39' ' ' GLU 1.035 0.0 OUTLIER -61.77 -26.18 67.93 Favored 'General case' 1 C--N 1.431 4.145 2 CA-C-N 136.63 8.832 . . . . 0.0 116.133 -179.442 . . . . . . . . 6 4 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 6.7 ptpt -53.57 -52.56 59.33 Favored 'General case' 0 CA--C 1.598 2.809 0 C-N-CA 111.97 -3.892 . . . . 0.0 118.498 160.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.772 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.303 0.0 OUTLIER -76.16 -54.17 7.21 Favored 'General case' 0 C--N 1.38 1.896 1 N-CA-C 126.899 5.889 . . . . 0.0 126.899 -132.31 . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.772 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 17.8 tpp -80.06 -53.48 6.68 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 164.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' OE2' ' HD2' ' A' ' 35' ' ' ARG 0.519 0.0 OUTLIER -76.9 -48.54 17.95 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 128.588 2.755 . . . . 0.0 112.705 -172.915 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.327 22.5 mm -77.83 -42.72 28.85 Favored 'Isoleucine or valine' 0 C--N 1.397 2.633 0 CA-C-N 121.703 2.047 . . . . 0.0 115.973 -168.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -56.74 -6.34 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.804 0 C-N-CA 124.244 1.017 . . . . 0.0 111.801 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 1.216 0 O-C-N 119.57 -1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.483 . . -57.87 -31.19 66.46 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.383 . . -60.86 -31.31 70.76 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 119.459 -2.026 . . . . 0.0 116.215 171.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.384 67.6 m-70 -75.29 -49.31 19.61 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 119.823 3.268 . . . . 0.0 119.823 154.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.437 0.0 OUTLIER -66.49 -36.3 82.4 Favored 'General case' 0 N--CA 1.52 3.039 0 CA-C-N 123.219 2.736 . . . . 0.0 116.944 176.118 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.269 0.2 OUTLIER -67.51 -51.43 51.06 Favored 'General case' 0 CA--C 1.593 2.628 2 N-CA-C 134.917 8.858 . . . . 0.0 134.917 134.422 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 40' ' ' ILE 0.976 0.0 OUTLIER -57.52 -27.99 63.06 Favored 'General case' 1 C--N 1.445 4.748 2 CA-C-N 137.918 9.417 . . . . 0.0 114.355 -176.85 . . . . . . . . 6 4 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.1 ptmt -53.0 -51.59 61.14 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 168.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.773 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.306 0.0 OUTLIER -74.26 -53.84 8.92 Favored 'General case' 0 C--N 1.375 1.692 1 N-CA-C 122.951 4.426 . . . . 0.0 122.951 -128.26 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.773 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 26.9 ttm -79.47 -53.12 7.2 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 131.033 3.733 . . . . 0.0 120.368 155.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.547 0.0 OUTLIER -75.82 -46.71 28.99 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 128.012 2.525 . . . . 0.0 112.128 -170.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 35' ' ' ARG 0.251 16.1 mt -75.53 -45.05 40.46 Favored 'Isoleucine or valine' 0 C--N 1.4 2.786 0 CA-C-N 123.419 2.827 . . . . 0.0 110.588 -177.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.22 25.79 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.609 3.221 0 CA-C-O 123.296 1.522 . . . . 0.0 109.504 159.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.352 0 O-C-N 118.94 -2.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.502 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.457 . . -47.82 -32.54 6.2 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.81 70.32 Favored 'General case' 0 CA--C 1.576 1.977 0 CA-C-N 121.988 2.176 . . . . 0.0 114.477 168.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -68.08 -49.23 62.54 Favored 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.927 2.936 . . . . 0.0 118.927 161.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.518 0.0 OUTLIER -65.56 -29.68 70.33 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 127.868 2.467 . . . . 0.0 113.834 171.984 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.818 ' ND2' HD12 ' A' ' 37' ' ' LEU 0.751 1.7 m-80 -62.02 -30.63 71.09 Favored 'General case' 0 CA--C 1.598 2.8 2 N-CA-C 148.022 13.712 . . . . 0.0 148.022 126.195 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.518 ' HG3' HG13 ' A' ' 40' ' ' ILE 1.151 2.5 tpp85 -72.77 -26.19 61.45 Favored 'General case' 0 C--N 1.42 3.666 2 CA-C-N 134.72 7.963 . . . . 0.0 116.841 147.052 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 16.5 ptmt -54.05 -51.11 65.11 Favored 'General case' 0 CA--C 1.581 2.146 0 N-CA-C 119.013 2.968 . . . . 0.0 119.013 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 1.051 HD21 ' HG2' ' A' ' 39' ' ' GLU 0.328 0.0 OUTLIER -71.91 -54.02 11.31 Favored 'General case' 0 CA--C 1.569 1.695 1 N-CA-C 128.709 6.559 . . . . 0.0 128.709 -122.936 . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.938 ' H ' HD22 ' A' ' 37' ' ' LEU . 12.4 tmm? -78.74 -48.92 13.97 Favored 'General case' 0 N--CA 1.449 -0.52 1 C-N-CA 134.765 5.226 . . . . 0.0 112.465 131.181 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 1.051 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.778 1.8 pt-20 -57.05 -44.44 82.98 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.58 2.352 . . . . 0.0 114.49 -159.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG13 ' HG3' ' A' ' 35' ' ' ARG . 10.5 mt -76.27 -49.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.388 2.262 0 CA-C-N 124.358 3.254 . . . . 0.0 114.552 154.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.277 87.3 mt -60.6 -13.76 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.787 0 C-N-CA 125.629 1.572 . . . . 0.0 112.774 -164.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.8 0 O-C-N 120.07 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.593 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.317 . . -49.5 -32.99 13.35 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.84 65.71 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 120.914 1.688 . . . . 0.0 112.924 170.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.4 m-70 -65.99 -47.12 75.6 Favored 'General case' 0 N--CA 1.521 3.08 0 C-N-CA 129.0 2.92 . . . . 0.0 118.505 164.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.593 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.88 -48.29 75.86 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 128.803 2.841 . . . . 0.0 105.544 168.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.75 ' ND2' HD12 ' A' ' 37' ' ' LEU 0.888 2.1 m-80 -53.84 -27.08 27.55 Favored 'General case' 0 CA--C 1.588 2.437 2 N-CA-C 142.43 11.641 . . . . 0.0 142.43 146.573 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 40' ' ' ILE 1.077 0.2 OUTLIER -75.18 -28.31 60.0 Favored 'General case' 1 C--N 1.429 4.043 2 CA-C-N 134.581 7.901 . . . . 0.0 118.593 133.164 . . . . . . . . 6 4 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 1.2 ptmt -55.7 -51.42 67.36 Favored 'General case' 0 C--N 1.39 2.367 0 CA-C-N 124.563 3.347 . . . . 0.0 119.321 174.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 1.055 HD21 ' HG2' ' A' ' 39' ' ' GLU 0.325 0.0 OUTLIER -69.09 -52.95 23.12 Favored 'General case' 0 CA--C 1.574 1.892 1 N-CA-C 128.87 6.619 . . . . 0.0 128.87 -123.557 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.999 ' H ' HD22 ' A' ' 37' ' ' LEU . 13.4 tmm? -78.21 -47.83 17.14 Favored 'General case' 0 N--CA 1.448 -0.533 1 C-N-CA 133.953 4.901 . . . . 0.0 111.924 131.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 1.055 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.839 3.2 pt-20 -57.86 -43.62 86.07 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.147 2.579 . . . . 0.0 115.688 -160.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 35' ' ' ARG . 95.3 mt -75.72 -50.48 23.32 Favored 'Isoleucine or valine' 0 C--N 1.392 2.444 0 CA-C-N 124.393 3.269 . . . . 0.0 112.857 151.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.311 86.2 mt -60.16 -17.67 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.743 0 CA-C-N 119.632 1.105 . . . . 0.0 113.179 -158.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.817 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.779 ' HE2' ' HD2' ' A' ' 33' ' ' LYS . . . -49.46 -45.54 46.8 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.67 69.87 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 120.248 1.386 . . . . 0.0 114.543 -136.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -71.81 -44.96 63.03 Favored 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 127.871 2.468 . . . . 0.0 116.524 169.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.779 ' HD2' ' HE2' ' A' ' 30' ' ' GLU . 1.2 pptp? -64.86 -31.51 72.77 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 123.161 2.71 . . . . 0.0 114.619 170.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.89 -53.38 18.27 Favored 'General case' 0 CA--C 1.585 2.291 2 N-CA-C 134.678 8.77 . . . . 0.0 134.678 133.432 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.51 0.0 OUTLIER -61.94 -25.94 67.9 Favored 'General case' 0 C--N 1.419 3.628 2 CA-C-N 138.967 9.894 . . . . 0.0 114.411 -168.655 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG3' ' HA ' ' A' ' 37' ' ' LEU 0.261 6.0 ptmt -50.42 -44.89 55.44 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 163.308 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.784 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -70.87 -53.22 15.95 Favored 'General case' 0 CA--C 1.561 1.382 1 N-CA-C 130.964 7.394 . . . . 0.0 130.964 -142.741 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.784 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 19.9 mmm -79.67 -52.49 7.9 Favored 'General case' 0 C--N 1.344 0.363 2 CA-C-N 127.694 4.77 . . . . 0.0 119.1 141.1 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HE2' HD22 ' A' ' 34' ' ' ASN 0.532 0.0 OUTLIER -74.39 -35.84 63.49 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.525 1.93 . . . . 0.0 112.723 -160.333 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.28 6.8 mt -75.99 -32.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.393 2.47 0 CA-C-N 122.474 2.397 . . . . 0.0 116.217 177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -56.23 -27.28 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.467 0 CA-C-N 120.261 1.391 . . . . 0.0 113.65 -143.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.872 0 O-C-N 120.315 -1.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.783 ' HE2' ' HD2' ' A' ' 33' ' ' LYS . . . -51.58 -45.95 63.31 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.43 68.52 Favored 'General case' 0 C--N 1.366 1.286 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -136.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.7 -45.89 60.44 Favored 'General case' 0 N--CA 1.505 2.282 0 C-N-CA 127.999 2.52 . . . . 0.0 117.164 168.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.783 ' HD2' ' HE2' ' A' ' 30' ' ' GLU 0.254 1.2 pptp? -64.19 -31.62 72.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 122.475 2.398 . . . . 0.0 114.751 170.187 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.598 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -70.57 -53.17 17.07 Favored 'General case' 0 CA--C 1.583 2.228 2 N-CA-C 134.56 8.726 . . . . 0.0 134.56 133.344 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -61.51 -26.29 67.82 Favored 'General case' 0 C--N 1.421 3.705 2 CA-C-N 139.18 9.991 . . . . 0.0 113.895 -168.348 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HG3' ' HA ' ' A' ' 37' ' ' LEU 0.273 8.4 ptmt -50.42 -44.51 55.28 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 165.275 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.384 0.3 OUTLIER -70.37 -52.84 19.58 Favored 'General case' 0 CA--C 1.559 1.299 1 N-CA-C 130.333 7.161 . . . . 0.0 130.333 -143.827 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.761 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 34.6 mmm -79.88 -52.72 7.53 Favored 'General case' 0 C--N 1.345 0.373 2 CA-C-N 128.177 4.989 . . . . 0.0 119.66 139.518 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.548 ' HE2' HD22 ' A' ' 34' ' ' ASN 0.563 0.0 OUTLIER -74.53 -34.27 62.95 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 126.566 1.946 . . . . 0.0 113.31 -158.766 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 mt -75.58 -33.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.394 2.534 0 CA-C-N 122.528 2.422 . . . . 0.0 114.006 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.98 -32.06 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.386 0 CA-C-N 120.511 1.505 . . . . 0.0 112.908 -147.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.917 0 O-C-N 120.533 -1.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . . . -70.9 -31.06 67.58 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 130.782 3.633 . . . . 0.0 118.8 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.33 64.87 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 120.947 1.703 . . . . 0.0 114.303 -167.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.562 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.251 56.3 m-70 -74.52 -50.71 17.09 Favored 'General case' 0 C--N 1.378 1.847 0 CA-C-O 113.372 -3.204 . . . . 0.0 116.506 157.294 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 30' ' ' GLU 0.423 0.0 OUTLIER -59.59 -43.3 93.73 Favored 'General case' 0 N--CA 1.532 3.662 1 CA-C-N 127.037 4.471 . . . . 0.0 112.069 -175.821 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -60.33 -51.44 69.5 Favored 'General case' 0 CA--C 1.602 2.943 2 N-CA-C 134.799 8.814 . . . . 0.0 134.799 145.162 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.648 0.0 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 1 C--N 1.438 4.447 2 CA-C-N 137.192 9.087 . . . . 0.0 111.105 179.739 . . . . . . . . 5 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 32' ' ' HIS 0.252 3.3 ptpt -53.04 -50.46 64.25 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 171.367 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.536 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.363 0.0 OUTLIER -69.77 -53.07 20.03 Favored 'General case' 0 C--N 1.372 1.574 1 N-CA-C 122.859 4.392 . . . . 0.0 122.859 -132.003 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.536 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 4.8 ttp -78.32 -50.93 10.89 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-N 123.796 2.998 . . . . 0.0 115.907 154.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.73 0.1 OUTLIER -73.02 -47.4 45.28 Favored 'General case' 0 C--N 1.368 1.399 0 CA-C-O 117.263 -1.351 . . . . 0.0 111.817 -161.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -48.7 38.13 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-N 122.754 2.525 . . . . 0.0 109.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 mt -58.77 8.96 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.601 2.922 0 C-N-CA 126.36 1.864 . . . . 0.0 109.896 166.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.362 1.119 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . -37.63 -34.62 0.11 Allowed 'General case' 0 C--N 1.354 0.788 2 C-N-CA 134.103 4.961 . . . . 0.0 124.233 . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.56 70.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 122.38 2.355 . . . . 0.0 111.852 -163.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.544 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 50.0 m80 -73.36 -27.31 61.42 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 120.235 3.42 . . . . 0.0 120.235 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -63.64 -50.4 69.47 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 125.768 3.894 . . . . 0.0 105.458 167.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.677 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.03 -52.3 66.1 Favored 'General case' 0 CA--C 1.608 3.184 2 N-CA-C 139.657 10.614 . . . . 0.0 139.657 155.68 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.567 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.69 10.9 tpp85 -69.67 -28.07 65.56 Favored 'General case' 1 C--N 1.463 5.539 1 CA-C-N 135.966 8.53 . . . . 0.0 108.991 179.849 . . . . . . . . 5 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.5 mtpt -51.16 -51.59 52.18 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 121.285 3.809 . . . . 0.0 121.285 164.562 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' A' ' 34' ' ' ASN 0.486 0.0 OUTLIER -69.91 -54.3 14.02 Favored 'General case' 0 N--CA 1.502 2.157 1 N-CA-C 126.132 5.604 . . . . 0.0 126.132 -139.848 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.567 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 29.2 ttp -78.86 -49.77 12.35 Favored 'General case' 0 C--N 1.349 0.563 1 C-N-CA 133.504 4.722 . . . . 0.0 112.884 144.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.567 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.962 9.2 pt-20 -68.58 -33.44 74.07 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.707 -160.033 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 35' ' ' ARG . 89.8 mt -77.78 -50.69 19.47 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.32 3.691 . . . . 0.0 111.528 155.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.338 36.8 mt -65.69 -9.86 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.27 0 CA-C-O 122.687 1.232 . . . . 0.0 113.339 -159.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.913 0 O-C-N 119.883 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . -37.82 -34.46 0.11 Allowed 'General case' 0 C--N 1.355 0.806 2 C-N-CA 134.084 4.953 . . . . 0.0 124.261 . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.6 70.49 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.442 2.383 . . . . 0.0 111.865 -163.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.546 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 51.0 m80 -73.34 -27.24 61.4 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 120.282 3.438 . . . . 0.0 120.282 174.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -63.73 -50.43 69.16 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 125.779 3.899 . . . . 0.0 105.385 167.627 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.676 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -57.99 -52.39 65.72 Favored 'General case' 0 CA--C 1.607 3.14 2 N-CA-C 139.595 10.591 . . . . 0.0 139.595 155.716 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.572 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.69 10.8 tpp85 -69.54 -28.14 65.76 Favored 'General case' 1 C--N 1.465 5.607 1 CA-C-N 136.03 8.559 . . . . 0.0 108.962 179.916 . . . . . . . . 5 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.4 mtpt -51.19 -51.55 52.71 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 121.358 3.836 . . . . 0.0 121.358 164.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.676 HD11 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.76 -54.29 14.38 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.155 5.613 . . . . 0.0 126.155 -140.011 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.568 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 28.8 ttp -78.85 -49.78 12.35 Favored 'General case' 0 N--CA 1.447 -0.577 1 C-N-CA 133.501 4.72 . . . . 0.0 112.899 144.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.572 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.962 9.1 pt-20 -68.55 -33.5 74.2 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 115.428 -2.225 . . . . 0.0 113.61 -159.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.2 mt -77.8 -50.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.345 3.702 . . . . 0.0 111.557 155.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 36.1 mt -65.72 -9.7 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.28 0 CA-C-O 122.76 1.267 . . . . 0.0 113.354 -159.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.977 0 O-C-N 119.882 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.64 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . -37.4 -34.42 0.09 Allowed 'General case' 0 C--N 1.355 0.816 2 C-N-CA 134.086 4.955 . . . . 0.0 124.274 . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.5 70.54 Favored 'General case' 0 CA--C 1.57 1.73 0 CA-C-N 122.446 2.384 . . . . 0.0 111.72 -163.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.547 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.337 10.7 m80 -73.18 -26.98 61.39 Favored 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 174.033 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -64.05 -50.47 68.27 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 116.607 -3.808 . . . . 0.0 105.294 167.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.678 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.17 -52.36 65.89 Favored 'General case' 0 CA--C 1.608 3.174 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.202 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.572 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.687 10.6 tpp85 -69.29 -28.11 65.99 Favored 'General case' 1 C--N 1.464 5.55 1 CA-C-N 135.98 8.536 . . . . 0.0 108.995 179.408 . . . . . . . . 5 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 27.1 mtpt -51.32 -51.51 53.72 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 121.336 3.828 . . . . 0.0 121.336 164.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.9 -54.23 14.37 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.197 5.628 . . . . 0.0 126.197 -139.86 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.567 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 29.9 ttp -78.85 -49.82 12.28 Favored 'General case' 0 C--N 1.35 0.625 1 C-N-CA 133.514 4.726 . . . . 0.0 112.81 144.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.572 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.962 9.3 pt-20 -68.57 -33.44 74.09 Favored 'General case' 0 CA--C 1.569 1.678 0 CA-C-O 115.471 -2.204 . . . . 0.0 113.739 -159.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.0 mt -77.81 -50.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.408 3.113 0 CA-C-N 125.306 3.685 . . . . 0.0 111.567 155.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 35.4 mt -65.7 -9.91 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.308 0 CA-C-O 122.679 1.228 . . . . 0.0 113.345 -159.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.926 0 O-C-N 119.934 -1.729 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.224 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HA ' ' HZ2' ' A' ' 33' ' ' LYS . . . -37.41 -34.4 0.09 Allowed 'General case' 0 C--N 1.355 0.837 2 C-N-CA 134.1 4.96 . . . . 0.0 124.31 . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.62 -46.51 70.47 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-N 122.369 2.35 . . . . 0.0 111.807 -163.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.553 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.344 11.3 m80 -73.11 -27.01 61.45 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 173.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.641 ' HZ2' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -64.06 -50.39 68.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 116.549 -3.845 . . . . 0.0 105.416 167.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.666 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.22 -52.34 65.98 Favored 'General case' 0 CA--C 1.608 3.197 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.073 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.587 HH21 ' HE2' ' A' ' 39' ' ' GLU 0.683 10.7 tpp85 -69.29 -28.27 66.14 Favored 'General case' 1 C--N 1.466 5.631 1 CA-C-N 135.981 8.537 . . . . 0.0 108.876 179.494 . . . . . . . . 5 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 15.8 mtpt -51.3 -51.46 54.1 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 121.426 3.862 . . . . 0.0 121.426 164.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 34' ' ' ASN 0.494 0.0 OUTLIER -69.89 -54.31 14.01 Favored 'General case' 0 N--CA 1.502 2.132 1 N-CA-C 126.414 5.709 . . . . 0.0 126.414 -139.729 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.547 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 12.7 tmm? -79.09 -49.28 12.87 Favored 'General case' 0 N--CA 1.447 -0.588 1 C-N-CA 133.702 4.801 . . . . 0.0 113.216 143.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.587 ' HE2' HH21 ' A' ' 35' ' ' ARG 0.967 9.6 pt-20 -67.03 -34.13 77.04 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 115.319 -2.277 . . . . 0.0 113.799 -161.606 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.8 mt -77.95 -50.66 19.33 Favored 'Isoleucine or valine' 0 C--N 1.408 3.14 0 CA-C-N 125.417 3.735 . . . . 0.0 111.651 155.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.34 36.9 mt -65.61 -9.72 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.295 0 CA-C-O 122.637 1.208 . . . . 0.0 113.303 -159.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.903 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.51 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.32 . . -56.6 -32.14 64.96 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.27 -33.17 65.22 Favored 'General case' 0 CA--C 1.587 2.385 0 CA-C-N 120.295 1.407 . . . . 0.0 112.659 168.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -72.83 -31.83 65.06 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 123.417 4.599 . . . . 0.0 123.417 162.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -70.91 -41.22 71.52 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 130.345 3.458 . . . . 0.0 110.254 164.169 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 1.078 HD21 HD12 ' A' ' 37' ' ' LEU 0.666 20.4 m120 -62.67 -29.56 70.73 Favored 'General case' 0 CA--C 1.603 2.992 2 N-CA-C 145.87 12.915 . . . . 0.0 145.87 139.27 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.02 1.9 tpp85 -71.24 -25.87 62.66 Favored 'General case' 1 C--N 1.43 4.066 2 CA-C-N 135.643 8.383 . . . . 0.0 116.636 147.171 . . . . . . . . 4 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -52.5 -51.39 59.71 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 113.759 -3.176 . . . . 0.0 117.844 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 1.078 HD12 HD21 ' A' ' 34' ' ' ASN 0.337 0.0 OUTLIER -72.59 -53.84 10.79 Favored 'General case' 0 N--CA 1.5 2.05 1 N-CA-C 128.65 6.537 . . . . 0.0 128.65 -119.607 . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 1.003 ' H ' HD22 ' A' ' 37' ' ' LEU . 13.3 tmm? -78.44 -50.12 12.24 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 131.521 3.928 . . . . 0.0 112.088 137.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.666 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.717 0.3 OUTLIER -62.44 -44.52 96.22 Favored 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 128.969 2.907 . . . . 0.0 113.538 -156.422 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mt -76.02 -46.46 34.4 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-N 123.458 2.844 . . . . 0.0 113.359 161.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.9 -27.94 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.162 0 CA-C-N 120.507 1.503 . . . . 0.0 109.512 -172.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.621 0 O-C-N 121.18 -0.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.453 . . -57.17 -32.46 66.45 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.304 . . -58.49 -30.8 67.3 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 121.741 2.064 . . . . 0.0 115.915 176.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.367 68.4 m-70 -74.95 -48.88 22.17 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 156.291 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS 0.44 0.0 OUTLIER -66.02 -36.28 82.84 Favored 'General case' 0 N--CA 1.518 2.965 0 CA-C-N 123.388 2.813 . . . . 0.0 116.342 175.646 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -51.79 48.16 Favored 'General case' 0 CA--C 1.587 2.388 2 N-CA-C 135.741 9.163 . . . . 0.0 135.741 134.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.563 ' O ' HG13 ' A' ' 40' ' ' ILE 0.913 0.1 OUTLIER -57.04 -29.5 63.44 Favored 'General case' 1 C--N 1.448 4.851 2 CA-C-N 137.715 9.325 . . . . 0.0 113.483 -176.104 . . . . . . . . 6 4 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.4 ptmt -52.52 -51.35 59.98 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.808 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.298 0.0 OUTLIER -74.02 -53.11 10.73 Favored 'General case' 0 CA--C 1.569 1.711 1 N-CA-C 123.004 4.446 . . . . 0.0 123.004 -134.019 . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.808 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 31.3 ttm -78.55 -52.07 9.02 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 130.121 3.368 . . . . 0.0 117.071 161.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.515 0.0 OUTLIER -74.82 -45.25 44.58 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 129.313 3.045 . . . . 0.0 111.85 -172.471 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 35' ' ' ARG 0.261 2.9 mt -76.34 -49.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.406 3.04 0 CA-C-N 125.654 3.843 . . . . 0.0 113.676 -177.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.35 17.75 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.603 3.014 0 C-N-CA 127.148 2.179 . . . . 0.0 108.216 150.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.283 0 O-C-N 120.377 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . -50.04 -48.29 52.88 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 118.3 2.704 . . . . 0.0 118.3 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.97 64.04 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -120.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -68.81 -46.78 67.74 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 121.744 2.066 . . . . 0.0 116.11 170.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -32.2 71.54 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 122.815 2.552 . . . . 0.0 115.582 170.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.602 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -70.31 -53.37 17.04 Favored 'General case' 0 CA--C 1.581 2.168 2 N-CA-C 135.28 8.992 . . . . 0.0 135.28 131.477 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.516 0.0 OUTLIER -62.1 -25.74 67.89 Favored 'General case' 0 C--N 1.416 3.474 2 CA-C-N 139.005 9.912 . . . . 0.0 114.622 -167.606 . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG3' ' HA ' ' A' ' 37' ' ' LEU 0.268 7.0 ptmt -50.65 -45.11 57.72 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 163.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.783 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -71.04 -53.09 15.94 Favored 'General case' 0 CA--C 1.561 1.37 1 N-CA-C 130.663 7.283 . . . . 0.0 130.663 -142.761 . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.783 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 36.2 mmm -79.7 -52.46 7.92 Favored 'General case' 0 C--N 1.345 0.372 2 CA-C-N 127.725 4.784 . . . . 0.0 119.152 141.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.555 ' HE2' HD22 ' A' ' 34' ' ' ASN 0.525 0.0 OUTLIER -74.52 -36.29 63.19 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.785 2.034 . . . . 0.0 112.808 -160.962 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.285 7.0 mt -76.03 -32.1 22.73 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-N 122.61 2.459 . . . . 0.0 116.114 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -56.11 -26.3 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.429 0 CA-C-N 120.18 1.355 . . . . 0.0 113.707 -144.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.91 0 O-C-N 120.31 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.514 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.319 . . -56.41 -32.02 64.43 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.92 65.57 Favored 'General case' 0 CA--C 1.584 2.281 0 CA-C-N 120.334 1.425 . . . . 0.0 112.741 168.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -72.48 -33.71 67.18 Favored 'General case' 0 N--CA 1.524 3.241 1 N-CA-C 122.728 4.344 . . . . 0.0 122.728 162.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -69.45 -41.83 75.72 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 130.047 3.339 . . . . 0.0 110.261 165.103 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 1.009 HD21 HD12 ' A' ' 37' ' ' LEU 0.716 19.5 m120 -60.77 -29.48 69.44 Favored 'General case' 0 CA--C 1.601 2.912 2 N-CA-C 146.032 12.975 . . . . 0.0 146.032 138.76 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.051 1.5 tpp85 -71.51 -25.85 62.42 Favored 'General case' 0 C--N 1.428 3.986 2 CA-C-N 135.348 8.249 . . . . 0.0 117.079 145.617 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -52.48 -51.34 59.9 Favored 'General case' 0 CA--C 1.593 2.597 0 C-N-CA 113.374 -3.33 . . . . 0.0 117.841 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 1.046 HD22 ' H ' ' A' ' 38' ' ' MET 0.338 0.0 OUTLIER -72.07 -53.71 12.03 Favored 'General case' 0 N--CA 1.501 2.106 1 N-CA-C 129.184 6.735 . . . . 0.0 129.184 -119.732 . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 1.046 ' H ' HD22 ' A' ' 37' ' ' LEU . 13.6 tmm? -78.46 -50.2 12.08 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 125.934 3.97 . . . . 0.0 112.239 136.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.679 ' HG2' HD21 ' A' ' 37' ' ' LEU 0.713 0.3 OUTLIER -61.55 -44.67 96.62 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 129.313 3.045 . . . . 0.0 113.699 -157.167 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.12 -46.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.391 2.413 0 CA-C-N 123.577 2.899 . . . . 0.0 113.336 161.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.94 -27.22 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.124 0 CA-C-N 120.676 1.58 . . . . 0.0 109.509 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.666 0 O-C-N 121.185 -0.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.18 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.616 . . 73.67 -41.29 0.49 Allowed 'General case' 0 C--N 1.355 0.841 2 C-N-CA 132.595 4.358 . . . . 0.0 122.35 . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.4 88.99 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 -165.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.483 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.286 80.7 m-70 -74.09 -49.76 22.53 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 115.293 -2.289 . . . . 0.0 116.39 163.066 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.266 2.8 ptmm? -63.48 -36.4 83.64 Favored 'General case' 0 N--CA 1.509 2.524 0 CA-C-N 124.587 3.358 . . . . 0.0 112.66 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -66.63 -53.09 37.81 Favored 'General case' 0 CA--C 1.596 2.714 2 N-CA-C 132.985 8.143 . . . . 0.0 132.985 139.392 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.528 0.4 OUTLIER -60.02 -25.52 65.36 Favored 'General case' 0 C--N 1.426 3.92 2 CA-C-N 139.496 10.135 . . . . 0.0 113.317 -174.843 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.51 ' HA ' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -51.57 -50.26 60.45 Favored 'General case' 0 CA--C 1.596 2.734 0 C-N-CA 113.129 -3.428 . . . . 0.0 116.445 163.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.783 ' CD2' ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -59.68 -52.78 64.02 Favored 'General case' 0 CA--C 1.563 1.466 1 N-CA-C 126.174 5.62 . . . . 0.0 126.174 -121.724 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.783 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 58.0 mtm -79.38 -50.45 10.81 Favored 'General case' 0 C--N 1.353 0.745 1 C-N-CA 131.962 4.105 . . . . 0.0 118.372 140.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.63 1.0 OUTLIER -68.76 -38.15 79.86 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.921 1.688 . . . . 0.0 113.549 -155.08 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.51 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 6.8 mm -75.69 -37.8 36.73 Favored 'Isoleucine or valine' 0 C--N 1.385 2.126 0 CA-C-N 120.747 1.612 . . . . 0.0 113.984 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mm -56.33 -24.67 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.154 0 O-C-N 119.363 -2.085 . . . . 0.0 114.359 -104.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.685 0 O-C-N 120.775 -1.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . . . 57.58 -31.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 120.611 3.56 . . . . 0.0 120.611 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -31.59 60.79 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.282 1.856 . . . . 0.0 114.566 -165.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.694 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.5 m-70 -75.13 -51.78 12.61 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 112.726 -3.511 . . . . 0.0 116.258 155.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 30' ' ' GLU 0.693 0.0 OUTLIER -60.08 -40.71 90.47 Favored 'General case' 0 N--CA 1.529 3.505 1 CA-C-N 128.62 5.191 . . . . 0.0 114.568 -178.106 . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.588 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.09 -52.76 62.6 Favored 'General case' 0 CA--C 1.584 2.272 2 N-CA-C 134.235 8.606 . . . . 0.0 134.235 141.968 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.773 0.0 OUTLIER -63.56 -28.67 70.1 Favored 'General case' 1 C--N 1.432 4.166 2 CA-C-N 137.671 9.305 . . . . 0.0 112.543 -171.72 . . . . . . . . 5 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 3.2 ptmt -53.26 -50.98 63.7 Favored 'General case' 0 CA--C 1.582 2.211 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 167.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.659 ' CD2' ' H ' ' A' ' 38' ' ' MET 0.275 0.0 OUTLIER -63.37 -53.41 52.9 Favored 'General case' 0 N--CA 1.506 2.329 1 N-CA-C 125.063 5.209 . . . . 0.0 125.063 -119.664 . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.659 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 9.7 tpp -78.39 -50.21 12.14 Favored 'General case' 0 C--N 1.366 1.301 0 CA-C-N 125.126 3.603 . . . . 0.0 116.85 153.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.797 0.6 OUTLIER -73.36 -44.47 58.62 Favored 'General case' 0 CA--C 1.572 1.819 0 C-N-CA 127.088 2.155 . . . . 0.0 116.1 -161.512 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 15.4 mm -76.13 -47.22 32.07 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 CA-C-N 122.212 2.278 . . . . 0.0 114.158 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.296 91.9 mt -59.36 -22.13 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.828 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -151.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.828 0 O-C-N 120.04 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.42 71.17 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 121.187 1.812 . . . . 0.0 113.236 -133.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.294 75.9 t60 -72.94 -31.93 64.92 Favored 'General case' 0 N--CA 1.515 2.808 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -41.03 98.11 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 123.437 2.835 . . . . 0.0 110.512 163.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.75 ' HA ' HD13 ' A' ' 37' ' ' LEU . 4.6 t-20 -67.35 -52.08 44.44 Favored 'General case' 0 CA--C 1.61 3.276 2 N-CA-C 135.375 9.028 . . . . 0.0 135.375 145.182 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.489 0.0 OUTLIER -59.13 -27.23 65.43 Favored 'General case' 1 C--N 1.436 4.352 2 CA-C-N 137.947 9.43 . . . . 0.0 112.863 -176.295 . . . . . . . . 6 4 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 14.6 ptmt -51.87 -50.06 61.72 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 166.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.068 HD23 ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -72.77 -51.9 17.21 Favored 'General case' 0 C--N 1.374 1.667 1 N-CA-C 125.136 5.236 . . . . 0.0 125.136 -139.966 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 1.068 ' H ' HD23 ' A' ' 37' ' ' LEU . 35.8 mmm -80.06 -52.47 7.76 Favored 'General case' 0 C--N 1.357 0.894 2 CA-C-N 126.708 4.322 . . . . 0.0 120.593 143.233 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.652 0.0 OUTLIER -74.24 -30.94 62.38 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 116.301 -1.809 . . . . 0.0 114.797 -160.667 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 35' ' ' ARG . 75.3 mt -73.9 -49.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.398 2.68 0 CA-C-N 122.941 2.61 . . . . 0.0 110.867 168.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm . . . . . 0 N--CA 1.534 3.728 0 O-C-N 117.243 -3.41 . . . . 0.0 112.737 -95.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.439 . . . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.65 59.9 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 122.148 2.249 . . . . 0.0 115.097 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.474 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.338 70.0 m-70 -74.03 -48.65 28.61 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 118.796 2.887 . . . . 0.0 118.796 157.659 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.429 0.0 OUTLIER -66.13 -36.44 83.15 Favored 'General case' 0 N--CA 1.514 2.77 0 CA-C-N 123.629 2.922 . . . . 0.0 116.31 175.331 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' HD13 ' A' ' 37' ' ' LEU . 4.2 t-20 -66.31 -51.82 53.48 Favored 'General case' 0 CA--C 1.599 2.841 2 N-CA-C 135.085 8.92 . . . . 0.0 135.085 135.497 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.998 0.0 OUTLIER -58.56 -27.14 64.31 Favored 'General case' 1 C--N 1.438 4.431 2 CA-C-N 137.257 9.117 . . . . 0.0 114.886 -177.814 . . . . . . . . 5 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 10.6 ptmt -53.37 -51.9 60.98 Favored 'General case' 0 CA--C 1.588 2.418 0 C-N-CA 114.808 -2.757 . . . . 0.0 118.313 164.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.931 HD23 ' H ' ' A' ' 38' ' ' MET 0.334 0.0 OUTLIER -74.96 -53.86 8.23 Favored 'General case' 0 C--N 1.378 1.805 1 N-CA-C 125.845 5.498 . . . . 0.0 125.845 -126.884 . . . . . . . . 5 4 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.931 ' H ' HD23 ' A' ' 37' ' ' LEU . 30.8 ttm -79.06 -52.71 7.84 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 131.145 3.778 . . . . 0.0 118.197 150.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.599 0.0 OUTLIER -75.42 -45.12 40.81 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 126.199 1.8 . . . . 0.0 112.458 -166.395 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mt -75.09 -47.29 36.86 Favored 'Isoleucine or valine' 0 C--N 1.399 2.739 0 CA-C-N 123.302 2.774 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 37' ' ' LEU . 14.3 mt . . . . . 0 N--CA 1.517 2.877 0 CA-C-O 125.355 2.502 . . . . 0.0 111.717 166.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.475 . . . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.21 70.12 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 121.118 1.781 . . . . 0.0 114.753 168.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.324 39.1 m80 -71.1 -47.33 58.77 Favored 'General case' 0 N--CA 1.516 2.853 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 163.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.431 0.0 OUTLIER -68.17 -30.4 69.49 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 127.518 2.327 . . . . 0.0 113.119 173.132 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.713 30.4 m-20 -62.4 -31.37 72.04 Favored 'General case' 0 CA--C 1.601 2.905 2 N-CA-C 146.553 13.168 . . . . 0.0 146.553 128.571 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.145 2.8 tpp85 -71.71 -26.22 62.4 Favored 'General case' 0 C--N 1.423 3.781 2 CA-C-N 134.961 8.073 . . . . 0.0 116.339 147.844 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -54.05 -51.42 64.12 Favored 'General case' 0 CA--C 1.587 2.394 0 C-N-CA 114.142 -3.023 . . . . 0.0 119.042 168.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.917 HD23 ' H ' ' A' ' 38' ' ' MET 0.335 0.0 OUTLIER -72.15 -54.11 10.7 Favored 'General case' 0 N--CA 1.493 1.684 1 N-CA-C 128.537 6.495 . . . . 0.0 128.537 -122.981 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.917 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.6 tmm? -78.84 -48.74 14.15 Favored 'General case' 0 N--CA 1.447 -0.58 1 C-N-CA 134.645 5.178 . . . . 0.0 112.334 131.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.636 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.794 2.1 pt-20 -57.43 -44.22 84.49 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.107 2.163 . . . . 0.0 114.598 -159.509 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.92 -49.24 26.57 Favored 'Isoleucine or valine' 0 C--N 1.388 2.263 0 CA-C-N 124.18 3.173 . . . . 0.0 114.12 155.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.278 86.3 mt . . . . . 0 N--CA 1.514 2.738 0 C-N-CA 125.61 1.564 . . . . 0.0 112.66 -164.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . . . . . . 0 CA--C 1.52 -0.19 1 N-CA-C 125.501 5.371 . . . . 0.0 125.501 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.81 -28.26 21.84 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 123.627 2.921 . . . . 0.0 116.75 -126.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.8 t-80 -68.46 -49.34 60.58 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 122.588 2.449 . . . . 0.0 116.472 167.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' H ' ' HG3' ' A' ' 33' ' ' LYS 0.318 0.0 OUTLIER -60.39 -44.57 95.52 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-N 124.208 3.185 . . . . 0.0 114.031 176.474 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.81 ' HA ' HD13 ' A' ' 37' ' ' LEU 0.314 2.6 t-20 -61.62 -52.0 66.16 Favored 'General case' 0 CA--C 1.591 2.553 2 N-CA-C 132.309 7.892 . . . . 0.0 132.309 143.311 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HD2' ' OE2' ' A' ' 39' ' ' GLU 1.035 0.0 OUTLIER -61.77 -26.18 67.93 Favored 'General case' 1 C--N 1.431 4.145 2 CA-C-N 136.63 8.832 . . . . 0.0 116.133 -179.442 . . . . . . . . 6 4 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 6.7 ptpt -53.57 -52.56 59.33 Favored 'General case' 0 CA--C 1.598 2.809 0 C-N-CA 111.97 -3.892 . . . . 0.0 118.498 160.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.048 HD23 ' H ' ' A' ' 38' ' ' MET 0.303 0.0 OUTLIER -76.16 -54.17 7.21 Favored 'General case' 0 C--N 1.38 1.896 1 N-CA-C 126.899 5.889 . . . . 0.0 126.899 -132.31 . . . . . . . . 5 4 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 1.048 ' H ' HD23 ' A' ' 37' ' ' LEU . 17.8 tpp -80.06 -53.48 6.68 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 164.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' OE2' ' HD2' ' A' ' 35' ' ' ARG 0.519 0.0 OUTLIER -76.9 -48.54 17.95 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 128.588 2.755 . . . . 0.0 112.705 -172.915 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.327 22.5 mm -77.83 -42.72 28.85 Favored 'Isoleucine or valine' 0 C--N 1.397 2.633 0 CA-C-N 121.703 2.047 . . . . 0.0 115.973 -168.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 CA--C 1.598 2.804 0 C-N-CA 124.244 1.017 . . . . 0.0 111.801 178.352 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.483 . . . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.383 . . -60.86 -31.31 70.76 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 119.459 -2.026 . . . . 0.0 116.215 171.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.384 67.6 m-70 -75.29 -49.31 19.61 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 119.823 3.268 . . . . 0.0 119.823 154.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 30' ' ' GLU 0.437 0.0 OUTLIER -66.49 -36.3 82.4 Favored 'General case' 0 N--CA 1.52 3.039 0 CA-C-N 123.219 2.736 . . . . 0.0 116.944 176.118 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' HA ' HD13 ' A' ' 37' ' ' LEU 0.269 2.5 t-20 -67.51 -51.43 51.06 Favored 'General case' 0 CA--C 1.593 2.628 2 N-CA-C 134.917 8.858 . . . . 0.0 134.917 134.422 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.976 0.0 OUTLIER -57.52 -27.99 63.06 Favored 'General case' 1 C--N 1.445 4.748 2 CA-C-N 137.918 9.417 . . . . 0.0 114.355 -176.85 . . . . . . . . 5 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.1 ptmt -53.0 -51.59 61.14 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 168.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.129 HD23 ' H ' ' A' ' 38' ' ' MET 0.306 0.0 OUTLIER -74.26 -53.84 8.92 Favored 'General case' 0 C--N 1.375 1.692 1 N-CA-C 122.951 4.426 . . . . 0.0 122.951 -128.26 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 1.129 ' H ' HD23 ' A' ' 37' ' ' LEU . 26.9 ttm -79.47 -53.12 7.2 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 131.033 3.733 . . . . 0.0 120.368 155.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.547 0.0 OUTLIER -75.82 -46.71 28.99 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 128.012 2.525 . . . . 0.0 112.128 -170.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 16.1 mt -75.53 -45.05 40.46 Favored 'Isoleucine or valine' 0 C--N 1.4 2.786 0 CA-C-N 123.419 2.827 . . . . 0.0 110.588 -177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mt . . . . . 0 CA--C 1.609 3.221 0 CA-C-O 123.296 1.522 . . . . 0.0 109.504 159.381 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.457 . . . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.81 70.32 Favored 'General case' 0 CA--C 1.576 1.977 0 CA-C-N 121.988 2.176 . . . . 0.0 114.477 168.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -68.08 -49.23 62.54 Favored 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.927 2.936 . . . . 0.0 118.927 161.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.518 0.0 OUTLIER -65.56 -29.68 70.33 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 127.868 2.467 . . . . 0.0 113.834 171.984 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.751 3.0 m120 -62.02 -30.63 71.09 Favored 'General case' 0 CA--C 1.598 2.8 2 N-CA-C 148.022 13.712 . . . . 0.0 148.022 126.195 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HG3' HG13 ' A' ' 40' ' ' ILE 1.151 2.5 tpp85 -72.77 -26.19 61.45 Favored 'General case' 0 C--N 1.42 3.666 2 CA-C-N 134.72 7.963 . . . . 0.0 116.841 147.052 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 16.5 ptmt -54.05 -51.11 65.11 Favored 'General case' 0 CA--C 1.581 2.146 0 N-CA-C 119.013 2.968 . . . . 0.0 119.013 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.895 HD23 ' H ' ' A' ' 38' ' ' MET 0.328 0.0 OUTLIER -71.91 -54.02 11.31 Favored 'General case' 0 CA--C 1.569 1.695 1 N-CA-C 128.709 6.559 . . . . 0.0 128.709 -122.936 . . . . . . . . 5 4 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.895 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.4 tmm? -78.74 -48.92 13.97 Favored 'General case' 0 N--CA 1.449 -0.52 1 C-N-CA 134.765 5.226 . . . . 0.0 112.465 131.181 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.652 ' H ' HD22 ' A' ' 37' ' ' LEU 0.778 1.8 pt-20 -57.05 -44.44 82.98 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.58 2.352 . . . . 0.0 114.49 -159.694 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.511 HG13 ' HG3' ' A' ' 35' ' ' ARG . 10.5 mt -76.27 -49.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.388 2.262 0 CA-C-N 124.358 3.254 . . . . 0.0 114.552 154.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.277 87.3 mt . . . . . 0 N--CA 1.515 2.787 0 C-N-CA 125.629 1.572 . . . . 0.0 112.774 -164.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.317 . . . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.84 65.71 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 120.914 1.688 . . . . 0.0 112.924 170.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.4 m-70 -65.99 -47.12 75.6 Favored 'General case' 0 N--CA 1.521 3.08 0 C-N-CA 129.0 2.92 . . . . 0.0 118.505 164.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.88 -48.29 75.86 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 128.803 2.841 . . . . 0.0 105.544 168.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.477 ' OD1' HD12 ' A' ' 37' ' ' LEU 0.888 3.4 m120 -53.84 -27.08 27.55 Favored 'General case' 0 CA--C 1.588 2.437 2 N-CA-C 142.43 11.641 . . . . 0.0 142.43 146.573 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 40' ' ' ILE 1.077 0.2 OUTLIER -75.18 -28.31 60.0 Favored 'General case' 1 C--N 1.429 4.043 2 CA-C-N 134.581 7.901 . . . . 0.0 118.593 133.164 . . . . . . . . 6 4 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 1.2 ptmt -55.7 -51.42 67.36 Favored 'General case' 0 C--N 1.39 2.367 0 CA-C-N 124.563 3.347 . . . . 0.0 119.321 174.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.912 HD23 ' H ' ' A' ' 38' ' ' MET 0.325 0.0 OUTLIER -69.09 -52.95 23.12 Favored 'General case' 0 CA--C 1.574 1.892 1 N-CA-C 128.87 6.619 . . . . 0.0 128.87 -123.557 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.912 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.4 tmm? -78.21 -47.83 17.14 Favored 'General case' 0 N--CA 1.448 -0.533 1 C-N-CA 133.953 4.901 . . . . 0.0 111.924 131.425 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.685 ' H ' HD22 ' A' ' 37' ' ' LEU 0.839 3.2 pt-20 -57.86 -43.62 86.07 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.147 2.579 . . . . 0.0 115.688 -160.791 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' ARG . 95.3 mt -75.72 -50.48 23.32 Favored 'Isoleucine or valine' 0 C--N 1.392 2.444 0 CA-C-N 124.393 3.269 . . . . 0.0 112.857 151.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.311 86.2 mt . . . . . 0 N--CA 1.514 2.743 0 CA-C-N 119.632 1.105 . . . . 0.0 113.179 -158.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.67 69.87 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 120.248 1.386 . . . . 0.0 114.543 -136.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -71.81 -44.96 63.03 Favored 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 127.871 2.468 . . . . 0.0 116.524 169.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -64.86 -31.51 72.77 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 123.161 2.71 . . . . 0.0 114.619 170.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.608 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.7 t-20 -69.89 -53.38 18.27 Favored 'General case' 0 CA--C 1.585 2.291 2 N-CA-C 134.678 8.77 . . . . 0.0 134.678 133.432 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.51 0.0 OUTLIER -61.94 -25.94 67.9 Favored 'General case' 0 C--N 1.419 3.628 2 CA-C-N 138.967 9.894 . . . . 0.0 114.411 -168.655 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.261 6.0 ptmt -50.42 -44.89 55.44 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 163.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.779 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -70.87 -53.22 15.95 Favored 'General case' 0 CA--C 1.561 1.382 1 N-CA-C 130.964 7.394 . . . . 0.0 130.964 -142.741 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.779 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 19.9 mmm -79.67 -52.49 7.9 Favored 'General case' 0 C--N 1.344 0.363 2 CA-C-N 127.694 4.77 . . . . 0.0 119.1 141.1 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.532 0.0 OUTLIER -74.39 -35.84 63.49 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.525 1.93 . . . . 0.0 112.723 -160.333 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.28 6.8 mt -75.99 -32.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.393 2.47 0 CA-C-N 122.474 2.397 . . . . 0.0 116.217 177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.528 3.467 0 CA-C-N 120.261 1.391 . . . . 0.0 113.65 -143.569 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.43 68.52 Favored 'General case' 0 C--N 1.366 1.286 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -136.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.7 -45.89 60.44 Favored 'General case' 0 N--CA 1.505 2.282 0 C-N-CA 127.999 2.52 . . . . 0.0 117.164 168.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.254 1.2 pptp? -64.19 -31.62 72.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 122.475 2.398 . . . . 0.0 114.751 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.601 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.8 t-20 -70.57 -53.17 17.07 Favored 'General case' 0 CA--C 1.583 2.228 2 N-CA-C 134.56 8.726 . . . . 0.0 134.56 133.344 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -61.51 -26.29 67.82 Favored 'General case' 0 C--N 1.421 3.705 2 CA-C-N 139.18 9.991 . . . . 0.0 113.895 -168.348 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.273 8.4 ptmt -50.42 -44.51 55.28 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 165.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.761 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.384 0.3 OUTLIER -70.37 -52.84 19.58 Favored 'General case' 0 CA--C 1.559 1.299 1 N-CA-C 130.333 7.161 . . . . 0.0 130.333 -143.827 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.761 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 34.6 mmm -79.88 -52.72 7.53 Favored 'General case' 0 C--N 1.345 0.373 2 CA-C-N 128.177 4.989 . . . . 0.0 119.66 139.518 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.563 0.0 OUTLIER -74.53 -34.27 62.95 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 126.566 1.946 . . . . 0.0 113.31 -158.766 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 mt -75.58 -33.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.394 2.534 0 CA-C-N 122.528 2.422 . . . . 0.0 114.006 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm . . . . . 0 N--CA 1.527 3.386 0 CA-C-N 120.511 1.505 . . . . 0.0 112.908 -147.136 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 118.8 2.889 . . . . 0.0 118.8 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.33 64.87 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 120.947 1.703 . . . . 0.0 114.303 -167.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.251 56.3 m-70 -74.52 -50.71 17.09 Favored 'General case' 0 C--N 1.378 1.847 0 CA-C-O 113.372 -3.204 . . . . 0.0 116.506 157.294 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.423 0.0 OUTLIER -59.59 -43.3 93.73 Favored 'General case' 0 N--CA 1.532 3.662 1 CA-C-N 127.037 4.471 . . . . 0.0 112.069 -175.821 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.867 ' HA ' HD13 ' A' ' 37' ' ' LEU . 7.7 t-20 -60.33 -51.44 69.5 Favored 'General case' 0 CA--C 1.602 2.943 2 N-CA-C 134.799 8.814 . . . . 0.0 134.799 145.162 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.648 0.0 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 1 C--N 1.438 4.447 2 CA-C-N 137.192 9.087 . . . . 0.0 111.105 179.739 . . . . . . . . 5 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 32' ' ' HIS 0.252 3.3 ptpt -53.04 -50.46 64.25 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 171.367 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.867 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.363 0.0 OUTLIER -69.77 -53.07 20.03 Favored 'General case' 0 C--N 1.372 1.574 1 N-CA-C 122.859 4.392 . . . . 0.0 122.859 -132.003 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.858 ' H ' HD23 ' A' ' 37' ' ' LEU . 4.8 ttp -78.32 -50.93 10.89 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-N 123.796 2.998 . . . . 0.0 115.907 154.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.73 0.1 OUTLIER -73.02 -47.4 45.28 Favored 'General case' 0 C--N 1.368 1.399 0 CA-C-O 117.263 -1.351 . . . . 0.0 111.817 -161.748 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -48.7 38.13 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-N 122.754 2.525 . . . . 0.0 109.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 mt . . . . . 0 CA--C 1.601 2.922 0 C-N-CA 126.36 1.864 . . . . 0.0 109.896 166.362 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.235 1 N-CA-C 124.233 4.901 . . . . 0.0 124.233 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.56 70.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 122.38 2.355 . . . . 0.0 111.852 -163.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.526 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 50.0 m80 -73.36 -27.31 61.42 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 120.235 3.42 . . . . 0.0 120.235 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.4 69.47 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 125.768 3.894 . . . . 0.0 105.458 167.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.848 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.7 t-20 -58.03 -52.3 66.1 Favored 'General case' 0 CA--C 1.608 3.184 2 N-CA-C 139.657 10.614 . . . . 0.0 139.657 155.68 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.549 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.69 10.9 tpp85 -69.67 -28.07 65.56 Favored 'General case' 1 C--N 1.463 5.539 1 CA-C-N 135.966 8.53 . . . . 0.0 108.991 179.849 . . . . . . . . 5 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.5 mtpt -51.16 -51.59 52.18 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 121.285 3.809 . . . . 0.0 121.285 164.562 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.486 0.0 OUTLIER -69.91 -54.3 14.02 Favored 'General case' 0 N--CA 1.502 2.157 1 N-CA-C 126.132 5.604 . . . . 0.0 126.132 -139.848 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.747 ' H ' HD23 ' A' ' 37' ' ' LEU . 29.2 ttp -78.86 -49.77 12.35 Favored 'General case' 0 C--N 1.349 0.563 1 C-N-CA 133.504 4.722 . . . . 0.0 112.884 144.493 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.549 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.2 pt-20 -68.58 -33.44 74.07 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.707 -160.033 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 35' ' ' ARG . 89.8 mt -77.78 -50.69 19.47 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.32 3.691 . . . . 0.0 111.528 155.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.338 36.8 mt . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 122.687 1.232 . . . . 0.0 113.339 -159.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 1 N-CA-C 124.261 4.911 . . . . 0.0 124.261 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.6 70.49 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.442 2.383 . . . . 0.0 111.865 -163.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.528 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 51.0 m80 -73.34 -27.24 61.4 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 120.282 3.438 . . . . 0.0 120.282 174.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -50.43 69.16 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 125.779 3.899 . . . . 0.0 105.385 167.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.847 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.8 t-20 -57.99 -52.39 65.72 Favored 'General case' 0 CA--C 1.607 3.14 2 N-CA-C 139.595 10.591 . . . . 0.0 139.595 155.716 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.69 10.8 tpp85 -69.54 -28.14 65.76 Favored 'General case' 1 C--N 1.465 5.607 1 CA-C-N 136.03 8.559 . . . . 0.0 108.962 179.916 . . . . . . . . 5 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.4 mtpt -51.19 -51.55 52.71 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 121.358 3.836 . . . . 0.0 121.358 164.67 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.76 -54.29 14.38 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.155 5.613 . . . . 0.0 126.155 -140.011 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.748 ' H ' HD23 ' A' ' 37' ' ' LEU . 28.8 ttp -78.85 -49.78 12.35 Favored 'General case' 0 N--CA 1.447 -0.577 1 C-N-CA 133.501 4.72 . . . . 0.0 112.899 144.486 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.55 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.1 pt-20 -68.55 -33.5 74.2 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 115.428 -2.225 . . . . 0.0 113.61 -159.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.2 mt -77.8 -50.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.345 3.702 . . . . 0.0 111.557 155.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 36.1 mt . . . . . 0 N--CA 1.525 3.28 0 CA-C-O 122.76 1.267 . . . . 0.0 113.354 -159.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 1 N-CA-C 124.274 4.916 . . . . 0.0 124.274 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.5 70.54 Favored 'General case' 0 CA--C 1.57 1.73 0 CA-C-N 122.446 2.384 . . . . 0.0 111.72 -163.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.337 10.7 m80 -73.18 -26.98 61.39 Favored 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 174.033 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -50.47 68.27 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 116.607 -3.808 . . . . 0.0 105.294 167.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.847 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.5 t-20 -58.17 -52.36 65.89 Favored 'General case' 0 CA--C 1.608 3.174 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.202 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.551 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.687 10.6 tpp85 -69.29 -28.11 65.99 Favored 'General case' 1 C--N 1.464 5.55 1 CA-C-N 135.98 8.536 . . . . 0.0 108.995 179.408 . . . . . . . . 5 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 27.1 mtpt -51.32 -51.51 53.72 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 121.336 3.828 . . . . 0.0 121.336 164.779 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.9 -54.23 14.37 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.197 5.628 . . . . 0.0 126.197 -139.86 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.747 ' H ' HD23 ' A' ' 37' ' ' LEU . 29.9 ttp -78.85 -49.82 12.28 Favored 'General case' 0 C--N 1.35 0.625 1 C-N-CA 133.514 4.726 . . . . 0.0 112.81 144.474 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.3 pt-20 -68.57 -33.44 74.09 Favored 'General case' 0 CA--C 1.569 1.678 0 CA-C-O 115.471 -2.204 . . . . 0.0 113.739 -159.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.0 mt -77.81 -50.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.408 3.113 0 CA-C-N 125.306 3.685 . . . . 0.0 111.567 155.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 35.4 mt . . . . . 0 N--CA 1.525 3.308 0 CA-C-O 122.679 1.228 . . . . 0.0 113.345 -159.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 1 N-CA-C 124.31 4.93 . . . . 0.0 124.31 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.62 -46.51 70.47 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-N 122.369 2.35 . . . . 0.0 111.807 -163.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.536 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.344 11.3 m80 -73.11 -27.01 61.45 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 173.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -50.39 68.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 116.549 -3.845 . . . . 0.0 105.416 167.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.851 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.5 t-20 -58.22 -52.34 65.98 Favored 'General case' 0 CA--C 1.608 3.197 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.073 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.683 10.7 tpp85 -69.29 -28.27 66.14 Favored 'General case' 1 C--N 1.466 5.631 1 CA-C-N 135.981 8.537 . . . . 0.0 108.876 179.494 . . . . . . . . 5 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 15.8 mtpt -51.3 -51.46 54.1 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 121.426 3.862 . . . . 0.0 121.426 164.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.851 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.494 0.0 OUTLIER -69.89 -54.31 14.01 Favored 'General case' 0 N--CA 1.502 2.132 1 N-CA-C 126.414 5.709 . . . . 0.0 126.414 -139.729 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.719 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.7 tmm? -79.09 -49.28 12.87 Favored 'General case' 0 N--CA 1.447 -0.588 1 C-N-CA 133.702 4.801 . . . . 0.0 113.216 143.397 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.59 ' H ' HD23 ' A' ' 37' ' ' LEU 0.967 9.6 pt-20 -67.03 -34.13 77.04 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 115.319 -2.277 . . . . 0.0 113.799 -161.606 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.8 mt -77.95 -50.66 19.33 Favored 'Isoleucine or valine' 0 C--N 1.408 3.14 0 CA-C-N 125.417 3.735 . . . . 0.0 111.651 155.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.34 36.9 mt . . . . . 0 N--CA 1.525 3.295 0 CA-C-O 122.637 1.208 . . . . 0.0 113.303 -159.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.32 . . . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.27 -33.17 65.22 Favored 'General case' 0 CA--C 1.587 2.385 0 CA-C-N 120.295 1.407 . . . . 0.0 112.659 168.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -72.83 -31.83 65.06 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 123.417 4.599 . . . . 0.0 123.417 162.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -70.91 -41.22 71.52 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 130.345 3.458 . . . . 0.0 110.254 164.169 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.666 88.1 m-20 -62.67 -29.56 70.73 Favored 'General case' 0 CA--C 1.603 2.992 2 N-CA-C 145.87 12.915 . . . . 0.0 145.87 139.27 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.02 1.9 tpp85 -71.24 -25.87 62.66 Favored 'General case' 1 C--N 1.43 4.066 2 CA-C-N 135.643 8.383 . . . . 0.0 116.636 147.171 . . . . . . . . 4 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -52.5 -51.39 59.71 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 113.759 -3.176 . . . . 0.0 117.844 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.784 HD23 ' H ' ' A' ' 38' ' ' MET 0.337 0.0 OUTLIER -72.59 -53.84 10.79 Favored 'General case' 0 N--CA 1.5 2.05 1 N-CA-C 128.65 6.537 . . . . 0.0 128.65 -119.607 . . . . . . . . 5 4 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.784 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.3 tmm? -78.44 -50.12 12.24 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 131.521 3.928 . . . . 0.0 112.088 137.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.717 0.3 OUTLIER -62.44 -44.52 96.22 Favored 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 128.969 2.907 . . . . 0.0 113.538 -156.422 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mt -76.02 -46.46 34.4 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-N 123.458 2.844 . . . . 0.0 113.359 161.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.522 3.162 0 CA-C-N 120.507 1.503 . . . . 0.0 109.512 -172.658 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.453 . . . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.304 . . -58.49 -30.8 67.3 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 121.741 2.064 . . . . 0.0 115.915 176.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.367 68.4 m-70 -74.95 -48.88 22.17 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 156.291 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 30' ' ' GLU 0.44 0.0 OUTLIER -66.02 -36.28 82.84 Favored 'General case' 0 N--CA 1.518 2.965 0 CA-C-N 123.388 2.813 . . . . 0.0 116.342 175.646 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.8 t-20 -67.32 -51.79 48.16 Favored 'General case' 0 CA--C 1.587 2.388 2 N-CA-C 135.741 9.163 . . . . 0.0 135.741 134.703 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' O ' HG13 ' A' ' 40' ' ' ILE 0.913 0.1 OUTLIER -57.04 -29.5 63.44 Favored 'General case' 1 C--N 1.448 4.851 2 CA-C-N 137.715 9.325 . . . . 0.0 113.483 -176.104 . . . . . . . . 6 4 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.4 ptmt -52.52 -51.35 59.98 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.068 HD23 ' H ' ' A' ' 38' ' ' MET 0.298 0.0 OUTLIER -74.02 -53.11 10.73 Favored 'General case' 0 CA--C 1.569 1.711 1 N-CA-C 123.004 4.446 . . . . 0.0 123.004 -134.019 . . . . . . . . 5 4 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 1.068 ' H ' HD23 ' A' ' 37' ' ' LEU . 31.3 ttm -78.55 -52.07 9.02 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 130.121 3.368 . . . . 0.0 117.071 161.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.515 0.0 OUTLIER -74.82 -45.25 44.58 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 129.313 3.045 . . . . 0.0 111.85 -172.471 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 35' ' ' ARG 0.261 2.9 mt -76.34 -49.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.406 3.04 0 CA-C-N 125.654 3.843 . . . . 0.0 113.676 -177.844 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.603 3.014 0 C-N-CA 127.148 2.179 . . . . 0.0 108.216 150.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 118.3 2.704 . . . . 0.0 118.3 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.97 64.04 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -120.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -68.81 -46.78 67.74 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 121.744 2.066 . . . . 0.0 116.11 170.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -32.2 71.54 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 122.815 2.552 . . . . 0.0 115.582 170.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.605 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 5.1 t-20 -70.31 -53.37 17.04 Favored 'General case' 0 CA--C 1.581 2.168 2 N-CA-C 135.28 8.992 . . . . 0.0 135.28 131.477 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.516 0.0 OUTLIER -62.1 -25.74 67.89 Favored 'General case' 0 C--N 1.416 3.474 2 CA-C-N 139.005 9.912 . . . . 0.0 114.622 -167.606 . . . . . . . . 5 4 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HB ' ' A' ' 40' ' ' ILE 0.268 7.0 ptmt -50.65 -45.11 57.72 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 163.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.782 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -71.04 -53.09 15.94 Favored 'General case' 0 CA--C 1.561 1.37 1 N-CA-C 130.663 7.283 . . . . 0.0 130.663 -142.761 . . . . . . . . 5 4 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.782 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 36.2 mmm -79.7 -52.46 7.92 Favored 'General case' 0 C--N 1.345 0.372 2 CA-C-N 127.725 4.784 . . . . 0.0 119.152 141.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.525 0.0 OUTLIER -74.52 -36.29 63.19 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.785 2.034 . . . . 0.0 112.808 -160.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 36' ' ' LYS 0.285 7.0 mt -76.03 -32.1 22.73 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-N 122.61 2.459 . . . . 0.0 116.114 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.528 3.429 0 CA-C-N 120.18 1.355 . . . . 0.0 113.707 -144.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.319 . . . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.92 65.57 Favored 'General case' 0 CA--C 1.584 2.281 0 CA-C-N 120.334 1.425 . . . . 0.0 112.741 168.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -72.48 -33.71 67.18 Favored 'General case' 0 N--CA 1.524 3.241 1 N-CA-C 122.728 4.344 . . . . 0.0 122.728 162.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -69.45 -41.83 75.72 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 130.047 3.339 . . . . 0.0 110.261 165.103 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.716 87.2 m-20 -60.77 -29.48 69.44 Favored 'General case' 0 CA--C 1.601 2.912 2 N-CA-C 146.032 12.975 . . . . 0.0 146.032 138.76 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.051 1.5 tpp85 -71.51 -25.85 62.42 Favored 'General case' 0 C--N 1.428 3.986 2 CA-C-N 135.348 8.249 . . . . 0.0 117.079 145.617 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -52.48 -51.34 59.9 Favored 'General case' 0 CA--C 1.593 2.597 0 C-N-CA 113.374 -3.33 . . . . 0.0 117.841 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.775 HD13 ' H ' ' A' ' 37' ' ' LEU 0.338 0.0 OUTLIER -72.07 -53.71 12.03 Favored 'General case' 0 N--CA 1.501 2.106 1 N-CA-C 129.184 6.735 . . . . 0.0 129.184 -119.732 . . . . . . . . 5 4 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.772 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.6 tmm? -78.46 -50.2 12.08 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 125.934 3.97 . . . . 0.0 112.239 136.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.713 0.3 OUTLIER -61.55 -44.67 96.62 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 129.313 3.045 . . . . 0.0 113.699 -157.167 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.12 -46.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.391 2.413 0 CA-C-N 123.577 2.899 . . . . 0.0 113.336 161.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.521 3.124 0 CA-C-N 120.676 1.58 . . . . 0.0 109.509 -173.608 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.616 . . . . . . . 0 N--CA 1.454 -0.257 1 N-CA-C 122.35 4.204 . . . . 0.0 122.35 . . . . . . . . . 2 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.4 88.99 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 -165.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.286 80.7 m-70 -74.09 -49.76 22.53 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 115.293 -2.289 . . . . 0.0 116.39 163.066 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.266 2.8 ptmm? -63.48 -36.4 83.64 Favored 'General case' 0 N--CA 1.509 2.524 0 CA-C-N 124.587 3.358 . . . . 0.0 112.66 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.63 -53.09 37.81 Favored 'General case' 0 CA--C 1.596 2.714 2 N-CA-C 132.985 8.143 . . . . 0.0 132.985 139.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.528 0.4 OUTLIER -60.02 -25.52 65.36 Favored 'General case' 0 C--N 1.426 3.92 2 CA-C-N 139.496 10.135 . . . . 0.0 113.317 -174.843 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -51.57 -50.26 60.45 Favored 'General case' 0 CA--C 1.596 2.734 0 C-N-CA 113.129 -3.428 . . . . 0.0 116.445 163.146 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.767 ' CD2' ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -59.68 -52.78 64.02 Favored 'General case' 0 CA--C 1.563 1.466 1 N-CA-C 126.174 5.62 . . . . 0.0 126.174 -121.724 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.767 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 58.0 mtm -79.38 -50.45 10.81 Favored 'General case' 0 C--N 1.353 0.745 1 C-N-CA 131.962 4.105 . . . . 0.0 118.372 140.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.63 1.0 OUTLIER -68.76 -38.15 79.86 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.921 1.688 . . . . 0.0 113.549 -155.08 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 6.8 mm -75.69 -37.8 36.73 Favored 'Isoleucine or valine' 0 C--N 1.385 2.126 0 CA-C-N 120.747 1.612 . . . . 0.0 113.984 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mm . . . . . 0 N--CA 1.522 3.154 0 O-C-N 119.363 -2.085 . . . . 0.0 114.359 -104.043 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . . . . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 120.611 3.56 . . . . 0.0 120.611 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -31.59 60.79 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.282 1.856 . . . . 0.0 114.566 -165.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.709 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.5 m-70 -75.13 -51.78 12.61 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 112.726 -3.511 . . . . 0.0 116.258 155.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 30' ' ' GLU 0.693 0.0 OUTLIER -60.08 -40.71 90.47 Favored 'General case' 0 N--CA 1.529 3.505 1 CA-C-N 128.62 5.191 . . . . 0.0 114.568 -178.106 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.5 t-20 -62.09 -52.76 62.6 Favored 'General case' 0 CA--C 1.584 2.272 2 N-CA-C 134.235 8.606 . . . . 0.0 134.235 141.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.773 0.0 OUTLIER -63.56 -28.67 70.1 Favored 'General case' 1 C--N 1.432 4.166 2 CA-C-N 137.671 9.305 . . . . 0.0 112.543 -171.72 . . . . . . . . 5 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 3.2 ptmt -53.26 -50.98 63.7 Favored 'General case' 0 CA--C 1.582 2.211 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 167.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.998 HD23 ' H ' ' A' ' 38' ' ' MET 0.275 0.0 OUTLIER -63.37 -53.41 52.9 Favored 'General case' 0 N--CA 1.506 2.329 1 N-CA-C 125.063 5.209 . . . . 0.0 125.063 -119.664 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.998 ' H ' HD23 ' A' ' 37' ' ' LEU . 9.7 tpp -78.39 -50.21 12.14 Favored 'General case' 0 C--N 1.366 1.301 0 CA-C-N 125.126 3.603 . . . . 0.0 116.85 153.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.797 0.6 OUTLIER -73.36 -44.47 58.62 Favored 'General case' 0 CA--C 1.572 1.819 0 C-N-CA 127.088 2.155 . . . . 0.0 116.1 -161.512 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 15.4 mm -76.13 -47.22 32.07 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 CA-C-N 122.212 2.278 . . . . 0.0 114.158 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.296 91.9 mt . . . . . 0 N--CA 1.516 2.828 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -151.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.02 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -59.84 -35.19 74.25 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.42 71.17 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 121.187 1.812 . . . . 0.0 113.236 -133.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.294 75.9 t60 -72.94 -31.93 64.92 Favored 'General case' 0 N--CA 1.515 2.808 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -41.03 98.11 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 123.437 2.835 . . . . 0.0 110.512 163.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.75 ' HA ' HD13 ' A' ' 37' ' ' LEU . 4.6 t-20 -67.35 -52.08 44.44 Favored 'General case' 0 CA--C 1.61 3.276 2 N-CA-C 135.375 9.028 . . . . 0.0 135.375 145.182 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.489 0.0 OUTLIER -59.13 -27.23 65.43 Favored 'General case' 1 C--N 1.436 4.352 2 CA-C-N 137.947 9.43 . . . . 0.0 112.863 -176.295 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 14.6 ptmt -51.87 -50.06 61.72 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 166.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.068 HD23 ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -72.77 -51.9 17.21 Favored 'General case' 0 C--N 1.374 1.667 1 N-CA-C 125.136 5.236 . . . . 0.0 125.136 -139.966 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 1.068 ' H ' HD23 ' A' ' 37' ' ' LEU . 35.8 mmm -80.06 -52.47 7.76 Favored 'General case' 0 C--N 1.357 0.894 2 CA-C-N 126.708 4.322 . . . . 0.0 120.593 143.233 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.652 0.0 OUTLIER -74.24 -30.94 62.38 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 116.301 -1.809 . . . . 0.0 114.797 -160.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 35' ' ' ARG . 75.3 mt -73.9 -49.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.398 2.68 0 CA-C-N 122.941 2.61 . . . . 0.0 110.867 168.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm -53.31 -29.48 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.728 0 O-C-N 117.243 -3.41 . . . . 0.0 112.737 -95.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.51 0 O-C-N 120.759 -1.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.439 . . -54.38 -33.89 60.1 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.65 59.9 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 122.148 2.249 . . . . 0.0 115.097 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.474 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.338 70.0 m-70 -74.03 -48.65 28.61 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 118.796 2.887 . . . . 0.0 118.796 157.659 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.429 0.0 OUTLIER -66.13 -36.44 83.15 Favored 'General case' 0 N--CA 1.514 2.77 0 CA-C-N 123.629 2.922 . . . . 0.0 116.31 175.331 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' HD13 ' A' ' 37' ' ' LEU . 4.2 t-20 -66.31 -51.82 53.48 Favored 'General case' 0 CA--C 1.599 2.841 2 N-CA-C 135.085 8.92 . . . . 0.0 135.085 135.497 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.998 0.0 OUTLIER -58.56 -27.14 64.31 Favored 'General case' 1 C--N 1.438 4.431 2 CA-C-N 137.257 9.117 . . . . 0.0 114.886 -177.814 . . . . . . . . 5 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 10.6 ptmt -53.37 -51.9 60.98 Favored 'General case' 0 CA--C 1.588 2.418 0 C-N-CA 114.808 -2.757 . . . . 0.0 118.313 164.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.931 HD23 ' H ' ' A' ' 38' ' ' MET 0.334 0.0 OUTLIER -74.96 -53.86 8.23 Favored 'General case' 0 C--N 1.378 1.805 1 N-CA-C 125.845 5.498 . . . . 0.0 125.845 -126.884 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.931 ' H ' HD23 ' A' ' 37' ' ' LEU . 30.8 ttm -79.06 -52.71 7.84 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 131.145 3.778 . . . . 0.0 118.197 150.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.599 0.0 OUTLIER -75.42 -45.12 40.81 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 126.199 1.8 . . . . 0.0 112.458 -166.395 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mt -75.09 -47.29 36.86 Favored 'Isoleucine or valine' 0 C--N 1.399 2.739 0 CA-C-N 123.302 2.774 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 37' ' ' LEU . 14.3 mt -56.8 -7.29 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.877 0 CA-C-O 125.355 2.502 . . . . 0.0 111.717 166.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.514 0 CA-C-N 112.614 -2.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.475 . . -49.96 -30.38 10.27 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.21 70.12 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 121.118 1.781 . . . . 0.0 114.753 168.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.324 39.1 m80 -71.1 -47.33 58.77 Favored 'General case' 0 N--CA 1.516 2.853 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 163.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.431 0.0 OUTLIER -68.17 -30.4 69.49 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 127.518 2.327 . . . . 0.0 113.119 173.132 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.713 30.4 m-20 -62.4 -31.37 72.04 Favored 'General case' 0 CA--C 1.601 2.905 2 N-CA-C 146.553 13.168 . . . . 0.0 146.553 128.571 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.145 2.8 tpp85 -71.71 -26.22 62.4 Favored 'General case' 0 C--N 1.423 3.781 2 CA-C-N 134.961 8.073 . . . . 0.0 116.339 147.844 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -54.05 -51.42 64.12 Favored 'General case' 0 CA--C 1.587 2.394 0 C-N-CA 114.142 -3.023 . . . . 0.0 119.042 168.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.917 HD23 ' H ' ' A' ' 38' ' ' MET 0.335 0.0 OUTLIER -72.15 -54.11 10.7 Favored 'General case' 0 N--CA 1.493 1.684 1 N-CA-C 128.537 6.495 . . . . 0.0 128.537 -122.981 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.917 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.6 tmm? -78.84 -48.74 14.15 Favored 'General case' 0 N--CA 1.447 -0.58 1 C-N-CA 134.645 5.178 . . . . 0.0 112.334 131.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.636 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.794 2.1 pt-20 -57.43 -44.22 84.49 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.107 2.163 . . . . 0.0 114.598 -159.509 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.92 -49.24 26.57 Favored 'Isoleucine or valine' 0 C--N 1.388 2.263 0 CA-C-N 124.18 3.173 . . . . 0.0 114.12 155.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.278 86.3 mt -61.8 -13.98 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.738 0 C-N-CA 125.61 1.564 . . . . 0.0 112.66 -164.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.814 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.188 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . -30.31 -47.99 0.09 Allowed 'General case' 0 C--N 1.358 0.972 2 N-CA-C 125.501 5.371 . . . . 0.0 125.501 . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.81 -28.26 21.84 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 123.627 2.921 . . . . 0.0 116.75 -126.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.8 t-80 -68.46 -49.34 60.58 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 122.588 2.449 . . . . 0.0 116.472 167.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' H ' ' HG3' ' A' ' 33' ' ' LYS 0.318 0.0 OUTLIER -60.39 -44.57 95.52 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-N 124.208 3.185 . . . . 0.0 114.031 176.474 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.81 ' HA ' HD13 ' A' ' 37' ' ' LEU 0.314 2.6 t-20 -61.62 -52.0 66.16 Favored 'General case' 0 CA--C 1.591 2.553 2 N-CA-C 132.309 7.892 . . . . 0.0 132.309 143.311 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HD2' ' OE2' ' A' ' 39' ' ' GLU 1.035 0.0 OUTLIER -61.77 -26.18 67.93 Favored 'General case' 1 C--N 1.431 4.145 2 CA-C-N 136.63 8.832 . . . . 0.0 116.133 -179.442 . . . . . . . . 6 4 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 6.7 ptpt -53.57 -52.56 59.33 Favored 'General case' 0 CA--C 1.598 2.809 0 C-N-CA 111.97 -3.892 . . . . 0.0 118.498 160.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.048 HD23 ' H ' ' A' ' 38' ' ' MET 0.303 0.0 OUTLIER -76.16 -54.17 7.21 Favored 'General case' 0 C--N 1.38 1.896 1 N-CA-C 126.899 5.889 . . . . 0.0 126.899 -132.31 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 1.048 ' H ' HD23 ' A' ' 37' ' ' LEU . 17.8 tpp -80.06 -53.48 6.68 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 164.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' OE2' ' HD2' ' A' ' 35' ' ' ARG 0.519 0.0 OUTLIER -76.9 -48.54 17.95 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 128.588 2.755 . . . . 0.0 112.705 -172.915 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.327 22.5 mm -77.83 -42.72 28.85 Favored 'Isoleucine or valine' 0 C--N 1.397 2.633 0 CA-C-N 121.703 2.047 . . . . 0.0 115.973 -168.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -56.74 -6.34 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.804 0 C-N-CA 124.244 1.017 . . . . 0.0 111.801 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 1.216 0 O-C-N 119.57 -1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.483 . . -57.87 -31.19 66.46 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.383 . . -60.86 -31.31 70.76 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 119.459 -2.026 . . . . 0.0 116.215 171.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.384 67.6 m-70 -75.29 -49.31 19.61 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 119.823 3.268 . . . . 0.0 119.823 154.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 30' ' ' GLU 0.437 0.0 OUTLIER -66.49 -36.3 82.4 Favored 'General case' 0 N--CA 1.52 3.039 0 CA-C-N 123.219 2.736 . . . . 0.0 116.944 176.118 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' HA ' HD13 ' A' ' 37' ' ' LEU 0.269 2.5 t-20 -67.51 -51.43 51.06 Favored 'General case' 0 CA--C 1.593 2.628 2 N-CA-C 134.917 8.858 . . . . 0.0 134.917 134.422 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.976 0.0 OUTLIER -57.52 -27.99 63.06 Favored 'General case' 1 C--N 1.445 4.748 2 CA-C-N 137.918 9.417 . . . . 0.0 114.355 -176.85 . . . . . . . . 5 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.1 ptmt -53.0 -51.59 61.14 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 168.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.129 HD23 ' H ' ' A' ' 38' ' ' MET 0.306 0.0 OUTLIER -74.26 -53.84 8.92 Favored 'General case' 0 C--N 1.375 1.692 1 N-CA-C 122.951 4.426 . . . . 0.0 122.951 -128.26 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 1.129 ' H ' HD23 ' A' ' 37' ' ' LEU . 26.9 ttm -79.47 -53.12 7.2 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 131.033 3.733 . . . . 0.0 120.368 155.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.547 0.0 OUTLIER -75.82 -46.71 28.99 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 128.012 2.525 . . . . 0.0 112.128 -170.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 16.1 mt -75.53 -45.05 40.46 Favored 'Isoleucine or valine' 0 C--N 1.4 2.786 0 CA-C-N 123.419 2.827 . . . . 0.0 110.588 -177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.22 25.79 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.609 3.221 0 CA-C-O 123.296 1.522 . . . . 0.0 109.504 159.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.352 0 O-C-N 118.94 -2.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.457 . . -47.82 -32.54 6.2 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.81 70.32 Favored 'General case' 0 CA--C 1.576 1.977 0 CA-C-N 121.988 2.176 . . . . 0.0 114.477 168.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -68.08 -49.23 62.54 Favored 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.927 2.936 . . . . 0.0 118.927 161.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.518 0.0 OUTLIER -65.56 -29.68 70.33 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 127.868 2.467 . . . . 0.0 113.834 171.984 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.751 3.0 m120 -62.02 -30.63 71.09 Favored 'General case' 0 CA--C 1.598 2.8 2 N-CA-C 148.022 13.712 . . . . 0.0 148.022 126.195 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HG3' HG13 ' A' ' 40' ' ' ILE 1.151 2.5 tpp85 -72.77 -26.19 61.45 Favored 'General case' 0 C--N 1.42 3.666 2 CA-C-N 134.72 7.963 . . . . 0.0 116.841 147.052 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 16.5 ptmt -54.05 -51.11 65.11 Favored 'General case' 0 CA--C 1.581 2.146 0 N-CA-C 119.013 2.968 . . . . 0.0 119.013 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.895 HD23 ' H ' ' A' ' 38' ' ' MET 0.328 0.0 OUTLIER -71.91 -54.02 11.31 Favored 'General case' 0 CA--C 1.569 1.695 1 N-CA-C 128.709 6.559 . . . . 0.0 128.709 -122.936 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.895 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.4 tmm? -78.74 -48.92 13.97 Favored 'General case' 0 N--CA 1.449 -0.52 1 C-N-CA 134.765 5.226 . . . . 0.0 112.465 131.181 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.652 ' H ' HD22 ' A' ' 37' ' ' LEU 0.778 1.8 pt-20 -57.05 -44.44 82.98 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.58 2.352 . . . . 0.0 114.49 -159.694 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.511 HG13 ' HG3' ' A' ' 35' ' ' ARG . 10.5 mt -76.27 -49.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.388 2.262 0 CA-C-N 124.358 3.254 . . . . 0.0 114.552 154.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.277 87.3 mt -60.6 -13.76 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.787 0 C-N-CA 125.629 1.572 . . . . 0.0 112.774 -164.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.8 0 O-C-N 120.07 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.317 . . -49.5 -32.99 13.35 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.84 65.71 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 120.914 1.688 . . . . 0.0 112.924 170.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.4 m-70 -65.99 -47.12 75.6 Favored 'General case' 0 N--CA 1.521 3.08 0 C-N-CA 129.0 2.92 . . . . 0.0 118.505 164.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.88 -48.29 75.86 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 128.803 2.841 . . . . 0.0 105.544 168.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.477 ' OD1' HD12 ' A' ' 37' ' ' LEU 0.888 3.4 m120 -53.84 -27.08 27.55 Favored 'General case' 0 CA--C 1.588 2.437 2 N-CA-C 142.43 11.641 . . . . 0.0 142.43 146.573 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 40' ' ' ILE 1.077 0.2 OUTLIER -75.18 -28.31 60.0 Favored 'General case' 1 C--N 1.429 4.043 2 CA-C-N 134.581 7.901 . . . . 0.0 118.593 133.164 . . . . . . . . 6 4 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 1.2 ptmt -55.7 -51.42 67.36 Favored 'General case' 0 C--N 1.39 2.367 0 CA-C-N 124.563 3.347 . . . . 0.0 119.321 174.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.912 HD23 ' H ' ' A' ' 38' ' ' MET 0.325 0.0 OUTLIER -69.09 -52.95 23.12 Favored 'General case' 0 CA--C 1.574 1.892 1 N-CA-C 128.87 6.619 . . . . 0.0 128.87 -123.557 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.912 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.4 tmm? -78.21 -47.83 17.14 Favored 'General case' 0 N--CA 1.448 -0.533 1 C-N-CA 133.953 4.901 . . . . 0.0 111.924 131.425 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.685 ' H ' HD22 ' A' ' 37' ' ' LEU 0.839 3.2 pt-20 -57.86 -43.62 86.07 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.147 2.579 . . . . 0.0 115.688 -160.791 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' ARG . 95.3 mt -75.72 -50.48 23.32 Favored 'Isoleucine or valine' 0 C--N 1.392 2.444 0 CA-C-N 124.393 3.269 . . . . 0.0 112.857 151.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.311 86.2 mt -60.16 -17.67 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.743 0 CA-C-N 119.632 1.105 . . . . 0.0 113.179 -158.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.817 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -49.46 -45.54 46.8 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.67 69.87 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 120.248 1.386 . . . . 0.0 114.543 -136.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -71.81 -44.96 63.03 Favored 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 127.871 2.468 . . . . 0.0 116.524 169.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -64.86 -31.51 72.77 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 123.161 2.71 . . . . 0.0 114.619 170.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.608 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.7 t-20 -69.89 -53.38 18.27 Favored 'General case' 0 CA--C 1.585 2.291 2 N-CA-C 134.678 8.77 . . . . 0.0 134.678 133.432 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.51 0.0 OUTLIER -61.94 -25.94 67.9 Favored 'General case' 0 C--N 1.419 3.628 2 CA-C-N 138.967 9.894 . . . . 0.0 114.411 -168.655 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.261 6.0 ptmt -50.42 -44.89 55.44 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 163.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.779 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -70.87 -53.22 15.95 Favored 'General case' 0 CA--C 1.561 1.382 1 N-CA-C 130.964 7.394 . . . . 0.0 130.964 -142.741 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.779 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 19.9 mmm -79.67 -52.49 7.9 Favored 'General case' 0 C--N 1.344 0.363 2 CA-C-N 127.694 4.77 . . . . 0.0 119.1 141.1 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.532 0.0 OUTLIER -74.39 -35.84 63.49 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.525 1.93 . . . . 0.0 112.723 -160.333 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.28 6.8 mt -75.99 -32.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.393 2.47 0 CA-C-N 122.474 2.397 . . . . 0.0 116.217 177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -56.23 -27.28 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.467 0 CA-C-N 120.261 1.391 . . . . 0.0 113.65 -143.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.872 0 O-C-N 120.315 -1.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -51.58 -45.95 63.31 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.43 68.52 Favored 'General case' 0 C--N 1.366 1.286 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -136.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.7 -45.89 60.44 Favored 'General case' 0 N--CA 1.505 2.282 0 C-N-CA 127.999 2.52 . . . . 0.0 117.164 168.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.254 1.2 pptp? -64.19 -31.62 72.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 122.475 2.398 . . . . 0.0 114.751 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.601 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.8 t-20 -70.57 -53.17 17.07 Favored 'General case' 0 CA--C 1.583 2.228 2 N-CA-C 134.56 8.726 . . . . 0.0 134.56 133.344 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -61.51 -26.29 67.82 Favored 'General case' 0 C--N 1.421 3.705 2 CA-C-N 139.18 9.991 . . . . 0.0 113.895 -168.348 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.273 8.4 ptmt -50.42 -44.51 55.28 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 165.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.384 0.3 OUTLIER -70.37 -52.84 19.58 Favored 'General case' 0 CA--C 1.559 1.299 1 N-CA-C 130.333 7.161 . . . . 0.0 130.333 -143.827 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.761 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 34.6 mmm -79.88 -52.72 7.53 Favored 'General case' 0 C--N 1.345 0.373 2 CA-C-N 128.177 4.989 . . . . 0.0 119.66 139.518 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.563 0.0 OUTLIER -74.53 -34.27 62.95 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 126.566 1.946 . . . . 0.0 113.31 -158.766 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 mt -75.58 -33.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.394 2.534 0 CA-C-N 122.528 2.422 . . . . 0.0 114.006 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.98 -32.06 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.386 0 CA-C-N 120.511 1.505 . . . . 0.0 112.908 -147.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.917 0 O-C-N 120.533 -1.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -70.9 -31.06 67.58 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 130.782 3.633 . . . . 0.0 118.8 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.33 64.87 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 120.947 1.703 . . . . 0.0 114.303 -167.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.251 56.3 m-70 -74.52 -50.71 17.09 Favored 'General case' 0 C--N 1.378 1.847 0 CA-C-O 113.372 -3.204 . . . . 0.0 116.506 157.294 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.423 0.0 OUTLIER -59.59 -43.3 93.73 Favored 'General case' 0 N--CA 1.532 3.662 1 CA-C-N 127.037 4.471 . . . . 0.0 112.069 -175.821 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.867 ' HA ' HD13 ' A' ' 37' ' ' LEU . 7.7 t-20 -60.33 -51.44 69.5 Favored 'General case' 0 CA--C 1.602 2.943 2 N-CA-C 134.799 8.814 . . . . 0.0 134.799 145.162 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.648 0.0 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 1 C--N 1.438 4.447 2 CA-C-N 137.192 9.087 . . . . 0.0 111.105 179.739 . . . . . . . . 5 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 32' ' ' HIS 0.252 3.3 ptpt -53.04 -50.46 64.25 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 171.367 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.867 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.363 0.0 OUTLIER -69.77 -53.07 20.03 Favored 'General case' 0 C--N 1.372 1.574 1 N-CA-C 122.859 4.392 . . . . 0.0 122.859 -132.003 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.858 ' H ' HD23 ' A' ' 37' ' ' LEU . 4.8 ttp -78.32 -50.93 10.89 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-N 123.796 2.998 . . . . 0.0 115.907 154.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.73 0.1 OUTLIER -73.02 -47.4 45.28 Favored 'General case' 0 C--N 1.368 1.399 0 CA-C-O 117.263 -1.351 . . . . 0.0 111.817 -161.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -48.7 38.13 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-N 122.754 2.525 . . . . 0.0 109.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 mt -58.77 8.96 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.601 2.922 0 C-N-CA 126.36 1.864 . . . . 0.0 109.896 166.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.362 1.119 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -37.63 -34.62 0.11 Allowed 'General case' 0 C--N 1.354 0.788 2 C-N-CA 134.103 4.961 . . . . 0.0 124.233 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.56 70.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 122.38 2.355 . . . . 0.0 111.852 -163.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.526 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 50.0 m80 -73.36 -27.31 61.42 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 120.235 3.42 . . . . 0.0 120.235 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.4 69.47 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 125.768 3.894 . . . . 0.0 105.458 167.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.848 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.7 t-20 -58.03 -52.3 66.1 Favored 'General case' 0 CA--C 1.608 3.184 2 N-CA-C 139.657 10.614 . . . . 0.0 139.657 155.68 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.549 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.69 10.9 tpp85 -69.67 -28.07 65.56 Favored 'General case' 1 C--N 1.463 5.539 1 CA-C-N 135.966 8.53 . . . . 0.0 108.991 179.849 . . . . . . . . 5 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.5 mtpt -51.16 -51.59 52.18 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 121.285 3.809 . . . . 0.0 121.285 164.562 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.486 0.0 OUTLIER -69.91 -54.3 14.02 Favored 'General case' 0 N--CA 1.502 2.157 1 N-CA-C 126.132 5.604 . . . . 0.0 126.132 -139.848 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.747 ' H ' HD23 ' A' ' 37' ' ' LEU . 29.2 ttp -78.86 -49.77 12.35 Favored 'General case' 0 C--N 1.349 0.563 1 C-N-CA 133.504 4.722 . . . . 0.0 112.884 144.493 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.549 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.2 pt-20 -68.58 -33.44 74.07 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.707 -160.033 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 35' ' ' ARG . 89.8 mt -77.78 -50.69 19.47 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.32 3.691 . . . . 0.0 111.528 155.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.338 36.8 mt -65.69 -9.86 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.27 0 CA-C-O 122.687 1.232 . . . . 0.0 113.339 -159.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.913 0 O-C-N 119.883 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -37.82 -34.46 0.11 Allowed 'General case' 0 C--N 1.355 0.806 2 C-N-CA 134.084 4.953 . . . . 0.0 124.261 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.6 70.49 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.442 2.383 . . . . 0.0 111.865 -163.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.528 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 51.0 m80 -73.34 -27.24 61.4 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 120.282 3.438 . . . . 0.0 120.282 174.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -50.43 69.16 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 125.779 3.899 . . . . 0.0 105.385 167.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.847 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.8 t-20 -57.99 -52.39 65.72 Favored 'General case' 0 CA--C 1.607 3.14 2 N-CA-C 139.595 10.591 . . . . 0.0 139.595 155.716 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.69 10.8 tpp85 -69.54 -28.14 65.76 Favored 'General case' 1 C--N 1.465 5.607 1 CA-C-N 136.03 8.559 . . . . 0.0 108.962 179.916 . . . . . . . . 5 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.4 mtpt -51.19 -51.55 52.71 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 121.358 3.836 . . . . 0.0 121.358 164.67 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.76 -54.29 14.38 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.155 5.613 . . . . 0.0 126.155 -140.011 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.748 ' H ' HD23 ' A' ' 37' ' ' LEU . 28.8 ttp -78.85 -49.78 12.35 Favored 'General case' 0 N--CA 1.447 -0.577 1 C-N-CA 133.501 4.72 . . . . 0.0 112.899 144.486 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.55 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.1 pt-20 -68.55 -33.5 74.2 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 115.428 -2.225 . . . . 0.0 113.61 -159.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.2 mt -77.8 -50.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.345 3.702 . . . . 0.0 111.557 155.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 36.1 mt -65.72 -9.7 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.28 0 CA-C-O 122.76 1.267 . . . . 0.0 113.354 -159.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.977 0 O-C-N 119.882 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -37.4 -34.42 0.09 Allowed 'General case' 0 C--N 1.355 0.816 2 C-N-CA 134.086 4.955 . . . . 0.0 124.274 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.5 70.54 Favored 'General case' 0 CA--C 1.57 1.73 0 CA-C-N 122.446 2.384 . . . . 0.0 111.72 -163.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.337 10.7 m80 -73.18 -26.98 61.39 Favored 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 174.033 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -50.47 68.27 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 116.607 -3.808 . . . . 0.0 105.294 167.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.847 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.5 t-20 -58.17 -52.36 65.89 Favored 'General case' 0 CA--C 1.608 3.174 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.202 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.551 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.687 10.6 tpp85 -69.29 -28.11 65.99 Favored 'General case' 1 C--N 1.464 5.55 1 CA-C-N 135.98 8.536 . . . . 0.0 108.995 179.408 . . . . . . . . 5 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 27.1 mtpt -51.32 -51.51 53.72 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 121.336 3.828 . . . . 0.0 121.336 164.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.9 -54.23 14.37 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.197 5.628 . . . . 0.0 126.197 -139.86 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.747 ' H ' HD23 ' A' ' 37' ' ' LEU . 29.9 ttp -78.85 -49.82 12.28 Favored 'General case' 0 C--N 1.35 0.625 1 C-N-CA 133.514 4.726 . . . . 0.0 112.81 144.474 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.3 pt-20 -68.57 -33.44 74.09 Favored 'General case' 0 CA--C 1.569 1.678 0 CA-C-O 115.471 -2.204 . . . . 0.0 113.739 -159.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.0 mt -77.81 -50.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.408 3.113 0 CA-C-N 125.306 3.685 . . . . 0.0 111.567 155.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 35.4 mt -65.7 -9.91 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.308 0 CA-C-O 122.679 1.228 . . . . 0.0 113.345 -159.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.926 0 O-C-N 119.934 -1.729 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.224 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -37.41 -34.4 0.09 Allowed 'General case' 0 C--N 1.355 0.837 2 C-N-CA 134.1 4.96 . . . . 0.0 124.31 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.62 -46.51 70.47 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-N 122.369 2.35 . . . . 0.0 111.807 -163.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.536 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.344 11.3 m80 -73.11 -27.01 61.45 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 173.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -50.39 68.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 116.549 -3.845 . . . . 0.0 105.416 167.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.851 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.5 t-20 -58.22 -52.34 65.98 Favored 'General case' 0 CA--C 1.608 3.197 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.073 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.683 10.7 tpp85 -69.29 -28.27 66.14 Favored 'General case' 1 C--N 1.466 5.631 1 CA-C-N 135.981 8.537 . . . . 0.0 108.876 179.494 . . . . . . . . 5 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 15.8 mtpt -51.3 -51.46 54.1 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 121.426 3.862 . . . . 0.0 121.426 164.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.851 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.494 0.0 OUTLIER -69.89 -54.31 14.01 Favored 'General case' 0 N--CA 1.502 2.132 1 N-CA-C 126.414 5.709 . . . . 0.0 126.414 -139.729 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.719 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.7 tmm? -79.09 -49.28 12.87 Favored 'General case' 0 N--CA 1.447 -0.588 1 C-N-CA 133.702 4.801 . . . . 0.0 113.216 143.397 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.59 ' H ' HD23 ' A' ' 37' ' ' LEU 0.967 9.6 pt-20 -67.03 -34.13 77.04 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 115.319 -2.277 . . . . 0.0 113.799 -161.606 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.8 mt -77.95 -50.66 19.33 Favored 'Isoleucine or valine' 0 C--N 1.408 3.14 0 CA-C-N 125.417 3.735 . . . . 0.0 111.651 155.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.34 36.9 mt -65.61 -9.72 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.295 0 CA-C-O 122.637 1.208 . . . . 0.0 113.303 -159.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.903 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.32 . . -56.6 -32.14 64.96 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.27 -33.17 65.22 Favored 'General case' 0 CA--C 1.587 2.385 0 CA-C-N 120.295 1.407 . . . . 0.0 112.659 168.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -72.83 -31.83 65.06 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 123.417 4.599 . . . . 0.0 123.417 162.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -70.91 -41.22 71.52 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 130.345 3.458 . . . . 0.0 110.254 164.169 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.666 88.1 m-20 -62.67 -29.56 70.73 Favored 'General case' 0 CA--C 1.603 2.992 2 N-CA-C 145.87 12.915 . . . . 0.0 145.87 139.27 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.02 1.9 tpp85 -71.24 -25.87 62.66 Favored 'General case' 1 C--N 1.43 4.066 2 CA-C-N 135.643 8.383 . . . . 0.0 116.636 147.171 . . . . . . . . 4 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -52.5 -51.39 59.71 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 113.759 -3.176 . . . . 0.0 117.844 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.784 HD23 ' H ' ' A' ' 38' ' ' MET 0.337 0.0 OUTLIER -72.59 -53.84 10.79 Favored 'General case' 0 N--CA 1.5 2.05 1 N-CA-C 128.65 6.537 . . . . 0.0 128.65 -119.607 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.784 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.3 tmm? -78.44 -50.12 12.24 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 131.521 3.928 . . . . 0.0 112.088 137.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.717 0.3 OUTLIER -62.44 -44.52 96.22 Favored 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 128.969 2.907 . . . . 0.0 113.538 -156.422 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mt -76.02 -46.46 34.4 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-N 123.458 2.844 . . . . 0.0 113.359 161.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.9 -27.94 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.162 0 CA-C-N 120.507 1.503 . . . . 0.0 109.512 -172.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.621 0 O-C-N 121.18 -0.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.453 . . -57.17 -32.46 66.45 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.304 . . -58.49 -30.8 67.3 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 121.741 2.064 . . . . 0.0 115.915 176.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.367 68.4 m-70 -74.95 -48.88 22.17 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 156.291 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 30' ' ' GLU 0.44 0.0 OUTLIER -66.02 -36.28 82.84 Favored 'General case' 0 N--CA 1.518 2.965 0 CA-C-N 123.388 2.813 . . . . 0.0 116.342 175.646 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.8 t-20 -67.32 -51.79 48.16 Favored 'General case' 0 CA--C 1.587 2.388 2 N-CA-C 135.741 9.163 . . . . 0.0 135.741 134.703 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' O ' HG13 ' A' ' 40' ' ' ILE 0.913 0.1 OUTLIER -57.04 -29.5 63.44 Favored 'General case' 1 C--N 1.448 4.851 2 CA-C-N 137.715 9.325 . . . . 0.0 113.483 -176.104 . . . . . . . . 6 4 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.4 ptmt -52.52 -51.35 59.98 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.068 HD23 ' H ' ' A' ' 38' ' ' MET 0.298 0.0 OUTLIER -74.02 -53.11 10.73 Favored 'General case' 0 CA--C 1.569 1.711 1 N-CA-C 123.004 4.446 . . . . 0.0 123.004 -134.019 . . . . . . . . 5 4 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 1.068 ' H ' HD23 ' A' ' 37' ' ' LEU . 31.3 ttm -78.55 -52.07 9.02 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 130.121 3.368 . . . . 0.0 117.071 161.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.515 0.0 OUTLIER -74.82 -45.25 44.58 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 129.313 3.045 . . . . 0.0 111.85 -172.471 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 35' ' ' ARG 0.261 2.9 mt -76.34 -49.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.406 3.04 0 CA-C-N 125.654 3.843 . . . . 0.0 113.676 -177.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.35 17.75 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.603 3.014 0 C-N-CA 127.148 2.179 . . . . 0.0 108.216 150.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.283 0 O-C-N 120.377 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . -50.04 -48.29 52.88 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 118.3 2.704 . . . . 0.0 118.3 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.97 64.04 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -120.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -68.81 -46.78 67.74 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 121.744 2.066 . . . . 0.0 116.11 170.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -32.2 71.54 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 122.815 2.552 . . . . 0.0 115.582 170.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.605 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 5.1 t-20 -70.31 -53.37 17.04 Favored 'General case' 0 CA--C 1.581 2.168 2 N-CA-C 135.28 8.992 . . . . 0.0 135.28 131.477 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.516 0.0 OUTLIER -62.1 -25.74 67.89 Favored 'General case' 0 C--N 1.416 3.474 2 CA-C-N 139.005 9.912 . . . . 0.0 114.622 -167.606 . . . . . . . . 5 4 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HB ' ' A' ' 40' ' ' ILE 0.268 7.0 ptmt -50.65 -45.11 57.72 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 163.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.782 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -71.04 -53.09 15.94 Favored 'General case' 0 CA--C 1.561 1.37 1 N-CA-C 130.663 7.283 . . . . 0.0 130.663 -142.761 . . . . . . . . 5 4 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.782 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 36.2 mmm -79.7 -52.46 7.92 Favored 'General case' 0 C--N 1.345 0.372 2 CA-C-N 127.725 4.784 . . . . 0.0 119.152 141.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.525 0.0 OUTLIER -74.52 -36.29 63.19 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.785 2.034 . . . . 0.0 112.808 -160.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 36' ' ' LYS 0.285 7.0 mt -76.03 -32.1 22.73 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-N 122.61 2.459 . . . . 0.0 116.114 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -56.11 -26.3 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.429 0 CA-C-N 120.18 1.355 . . . . 0.0 113.707 -144.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.91 0 O-C-N 120.31 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.319 . . -56.41 -32.02 64.43 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.92 65.57 Favored 'General case' 0 CA--C 1.584 2.281 0 CA-C-N 120.334 1.425 . . . . 0.0 112.741 168.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -72.48 -33.71 67.18 Favored 'General case' 0 N--CA 1.524 3.241 1 N-CA-C 122.728 4.344 . . . . 0.0 122.728 162.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -69.45 -41.83 75.72 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 130.047 3.339 . . . . 0.0 110.261 165.103 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.716 87.2 m-20 -60.77 -29.48 69.44 Favored 'General case' 0 CA--C 1.601 2.912 2 N-CA-C 146.032 12.975 . . . . 0.0 146.032 138.76 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.051 1.5 tpp85 -71.51 -25.85 62.42 Favored 'General case' 0 C--N 1.428 3.986 2 CA-C-N 135.348 8.249 . . . . 0.0 117.079 145.617 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -52.48 -51.34 59.9 Favored 'General case' 0 CA--C 1.593 2.597 0 C-N-CA 113.374 -3.33 . . . . 0.0 117.841 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.775 HD13 ' H ' ' A' ' 37' ' ' LEU 0.338 0.0 OUTLIER -72.07 -53.71 12.03 Favored 'General case' 0 N--CA 1.501 2.106 1 N-CA-C 129.184 6.735 . . . . 0.0 129.184 -119.732 . . . . . . . . 5 4 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.772 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.6 tmm? -78.46 -50.2 12.08 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 125.934 3.97 . . . . 0.0 112.239 136.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.713 0.3 OUTLIER -61.55 -44.67 96.62 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 129.313 3.045 . . . . 0.0 113.699 -157.167 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.12 -46.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.391 2.413 0 CA-C-N 123.577 2.899 . . . . 0.0 113.336 161.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.94 -27.22 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.124 0 CA-C-N 120.676 1.58 . . . . 0.0 109.509 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.666 0 O-C-N 121.185 -0.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ACE . . . . . 0.416 ' H1 ' ' H ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--O 1.226 -0.18 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.616 . . 73.67 -41.29 0.49 Allowed 'General case' 0 C--N 1.355 0.841 2 C-N-CA 132.595 4.358 . . . . 0.0 122.35 . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' H ' ' H1 ' ' A' ' 29' ' ' ACE . . . -59.32 -41.4 88.99 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 -165.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.286 80.7 m-70 -74.09 -49.76 22.53 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 115.293 -2.289 . . . . 0.0 116.39 163.066 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.266 2.8 ptmm? -63.48 -36.4 83.64 Favored 'General case' 0 N--CA 1.509 2.524 0 CA-C-N 124.587 3.358 . . . . 0.0 112.66 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.63 -53.09 37.81 Favored 'General case' 0 CA--C 1.596 2.714 2 N-CA-C 132.985 8.143 . . . . 0.0 132.985 139.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.528 0.4 OUTLIER -60.02 -25.52 65.36 Favored 'General case' 0 C--N 1.426 3.92 2 CA-C-N 139.496 10.135 . . . . 0.0 113.317 -174.843 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -51.57 -50.26 60.45 Favored 'General case' 0 CA--C 1.596 2.734 0 C-N-CA 113.129 -3.428 . . . . 0.0 116.445 163.146 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.767 ' CD2' ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -59.68 -52.78 64.02 Favored 'General case' 0 CA--C 1.563 1.466 1 N-CA-C 126.174 5.62 . . . . 0.0 126.174 -121.724 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.767 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 58.0 mtm -79.38 -50.45 10.81 Favored 'General case' 0 C--N 1.353 0.745 1 C-N-CA 131.962 4.105 . . . . 0.0 118.372 140.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.63 1.0 OUTLIER -68.76 -38.15 79.86 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.921 1.688 . . . . 0.0 113.549 -155.08 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 6.8 mm -75.69 -37.8 36.73 Favored 'Isoleucine or valine' 0 C--N 1.385 2.126 0 CA-C-N 120.747 1.612 . . . . 0.0 113.984 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mm -56.33 -24.67 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.154 0 O-C-N 119.363 -2.085 . . . . 0.0 114.359 -104.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.685 0 O-C-N 120.775 -1.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . . . 57.58 -31.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 120.611 3.56 . . . . 0.0 120.611 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -31.59 60.79 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.282 1.856 . . . . 0.0 114.566 -165.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.709 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.5 m-70 -75.13 -51.78 12.61 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 112.726 -3.511 . . . . 0.0 116.258 155.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 30' ' ' GLU 0.693 0.0 OUTLIER -60.08 -40.71 90.47 Favored 'General case' 0 N--CA 1.529 3.505 1 CA-C-N 128.62 5.191 . . . . 0.0 114.568 -178.106 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.514 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.5 t-20 -62.09 -52.76 62.6 Favored 'General case' 0 CA--C 1.584 2.272 2 N-CA-C 134.235 8.606 . . . . 0.0 134.235 141.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.773 0.0 OUTLIER -63.56 -28.67 70.1 Favored 'General case' 1 C--N 1.432 4.166 2 CA-C-N 137.671 9.305 . . . . 0.0 112.543 -171.72 . . . . . . . . 5 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 3.2 ptmt -53.26 -50.98 63.7 Favored 'General case' 0 CA--C 1.582 2.211 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 167.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.998 HD23 ' H ' ' A' ' 38' ' ' MET 0.275 0.0 OUTLIER -63.37 -53.41 52.9 Favored 'General case' 0 N--CA 1.506 2.329 1 N-CA-C 125.063 5.209 . . . . 0.0 125.063 -119.664 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.998 ' H ' HD23 ' A' ' 37' ' ' LEU . 9.7 tpp -78.39 -50.21 12.14 Favored 'General case' 0 C--N 1.366 1.301 0 CA-C-N 125.126 3.603 . . . . 0.0 116.85 153.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.797 0.6 OUTLIER -73.36 -44.47 58.62 Favored 'General case' 0 CA--C 1.572 1.819 0 C-N-CA 127.088 2.155 . . . . 0.0 116.1 -161.512 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 15.4 mm -76.13 -47.22 32.07 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 CA-C-N 122.212 2.278 . . . . 0.0 114.158 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.296 91.9 mt -59.36 -22.13 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.828 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -151.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.828 0 O-C-N 120.04 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.42 71.17 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 121.187 1.812 . . . . 0.0 113.236 -133.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.294 75.9 t60 -72.94 -31.93 64.92 Favored 'General case' 0 N--CA 1.515 2.808 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -41.03 98.11 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 123.437 2.835 . . . . 0.0 110.512 163.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.75 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -67.35 -52.08 44.44 Favored 'General case' 0 CA--C 1.61 3.276 2 N-CA-C 135.375 9.028 . . . . 0.0 135.375 145.182 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.489 0.0 OUTLIER -59.13 -27.23 65.43 Favored 'General case' 1 C--N 1.436 4.352 2 CA-C-N 137.947 9.43 . . . . 0.0 112.863 -176.295 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 14.6 ptmt -51.87 -50.06 61.72 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 166.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.068 HD23 ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -72.77 -51.9 17.21 Favored 'General case' 0 C--N 1.374 1.667 1 N-CA-C 125.136 5.236 . . . . 0.0 125.136 -139.966 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 1.068 ' H ' HD23 ' A' ' 37' ' ' LEU . 35.8 mmm -80.06 -52.47 7.76 Favored 'General case' 0 C--N 1.357 0.894 2 CA-C-N 126.708 4.322 . . . . 0.0 120.593 143.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.652 0.0 OUTLIER -74.24 -30.94 62.38 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 116.301 -1.809 . . . . 0.0 114.797 -160.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 35' ' ' ARG . 75.3 mt -73.9 -49.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.398 2.68 0 CA-C-N 122.941 2.61 . . . . 0.0 110.867 168.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm . . . . . 0 N--CA 1.534 3.728 0 O-C-N 117.243 -3.41 . . . . 0.0 112.737 -95.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.439 . . . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.65 59.9 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 122.148 2.249 . . . . 0.0 115.097 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.474 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.338 70.0 m-70 -74.03 -48.65 28.61 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 118.796 2.887 . . . . 0.0 118.796 157.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.429 0.0 OUTLIER -66.13 -36.44 83.15 Favored 'General case' 0 N--CA 1.514 2.77 0 CA-C-N 123.629 2.922 . . . . 0.0 116.31 175.331 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -66.31 -51.82 53.48 Favored 'General case' 0 CA--C 1.599 2.841 2 N-CA-C 135.085 8.92 . . . . 0.0 135.085 135.497 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.998 0.0 OUTLIER -58.56 -27.14 64.31 Favored 'General case' 1 C--N 1.438 4.431 2 CA-C-N 137.257 9.117 . . . . 0.0 114.886 -177.814 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 10.6 ptmt -53.37 -51.9 60.98 Favored 'General case' 0 CA--C 1.588 2.418 0 C-N-CA 114.808 -2.757 . . . . 0.0 118.313 164.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.931 HD23 ' H ' ' A' ' 38' ' ' MET 0.334 0.0 OUTLIER -74.96 -53.86 8.23 Favored 'General case' 0 C--N 1.378 1.805 1 N-CA-C 125.845 5.498 . . . . 0.0 125.845 -126.884 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.931 ' H ' HD23 ' A' ' 37' ' ' LEU . 30.8 ttm -79.06 -52.71 7.84 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 131.145 3.778 . . . . 0.0 118.197 150.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.599 0.0 OUTLIER -75.42 -45.12 40.81 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 126.199 1.8 . . . . 0.0 112.458 -166.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mt -75.09 -47.29 36.86 Favored 'Isoleucine or valine' 0 C--N 1.399 2.739 0 CA-C-N 123.302 2.774 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 37' ' ' LEU . 14.3 mt . . . . . 0 N--CA 1.517 2.877 0 CA-C-O 125.355 2.502 . . . . 0.0 111.717 166.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.475 . . . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.21 70.12 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 121.118 1.781 . . . . 0.0 114.753 168.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.324 39.1 m80 -71.1 -47.33 58.77 Favored 'General case' 0 N--CA 1.516 2.853 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 163.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.431 0.0 OUTLIER -68.17 -30.4 69.49 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 127.518 2.327 . . . . 0.0 113.119 173.132 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.822 HD22 HD12 ' A' ' 37' ' ' LEU 0.713 3.6 m120 -62.4 -31.37 72.04 Favored 'General case' 0 CA--C 1.601 2.905 2 N-CA-C 146.553 13.168 . . . . 0.0 146.553 128.571 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.145 2.8 tpp85 -71.71 -26.22 62.4 Favored 'General case' 0 C--N 1.423 3.781 2 CA-C-N 134.961 8.073 . . . . 0.0 116.339 147.844 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -54.05 -51.42 64.12 Favored 'General case' 0 CA--C 1.587 2.394 0 C-N-CA 114.142 -3.023 . . . . 0.0 119.042 168.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.917 HD23 ' H ' ' A' ' 38' ' ' MET 0.335 0.0 OUTLIER -72.15 -54.11 10.7 Favored 'General case' 0 N--CA 1.493 1.684 1 N-CA-C 128.537 6.495 . . . . 0.0 128.537 -122.981 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.917 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.6 tmm? -78.84 -48.74 14.15 Favored 'General case' 0 N--CA 1.447 -0.58 1 C-N-CA 134.645 5.178 . . . . 0.0 112.334 131.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.636 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.794 2.1 pt-20 -57.43 -44.22 84.49 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.107 2.163 . . . . 0.0 114.598 -159.509 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.92 -49.24 26.57 Favored 'Isoleucine or valine' 0 C--N 1.388 2.263 0 CA-C-N 124.18 3.173 . . . . 0.0 114.12 155.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.278 86.3 mt . . . . . 0 N--CA 1.514 2.738 0 C-N-CA 125.61 1.564 . . . . 0.0 112.66 -164.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . . . . . . 0 CA--C 1.52 -0.19 1 N-CA-C 125.501 5.371 . . . . 0.0 125.501 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.81 -28.26 21.84 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 123.627 2.921 . . . . 0.0 116.75 -126.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.8 t-80 -68.46 -49.34 60.58 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 122.588 2.449 . . . . 0.0 116.472 167.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' H ' ' HG3' ' A' ' 33' ' ' LYS 0.318 0.0 OUTLIER -60.39 -44.57 95.52 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-N 124.208 3.185 . . . . 0.0 114.031 176.474 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.81 ' HA ' HD13 ' A' ' 37' ' ' LEU 0.314 0.2 OUTLIER -61.62 -52.0 66.16 Favored 'General case' 0 CA--C 1.591 2.553 2 N-CA-C 132.309 7.892 . . . . 0.0 132.309 143.311 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HD2' ' OE2' ' A' ' 39' ' ' GLU 1.035 0.0 OUTLIER -61.77 -26.18 67.93 Favored 'General case' 1 C--N 1.431 4.145 2 CA-C-N 136.63 8.832 . . . . 0.0 116.133 -179.442 . . . . . . . . 6 4 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 6.7 ptpt -53.57 -52.56 59.33 Favored 'General case' 0 CA--C 1.598 2.809 0 C-N-CA 111.97 -3.892 . . . . 0.0 118.498 160.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.048 HD23 ' H ' ' A' ' 38' ' ' MET 0.303 0.0 OUTLIER -76.16 -54.17 7.21 Favored 'General case' 0 C--N 1.38 1.896 1 N-CA-C 126.899 5.889 . . . . 0.0 126.899 -132.31 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 1.048 ' H ' HD23 ' A' ' 37' ' ' LEU . 17.8 tpp -80.06 -53.48 6.68 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 164.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' OE2' ' HD2' ' A' ' 35' ' ' ARG 0.519 0.0 OUTLIER -76.9 -48.54 17.95 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 128.588 2.755 . . . . 0.0 112.705 -172.915 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.327 22.5 mm -77.83 -42.72 28.85 Favored 'Isoleucine or valine' 0 C--N 1.397 2.633 0 CA-C-N 121.703 2.047 . . . . 0.0 115.973 -168.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 CA--C 1.598 2.804 0 C-N-CA 124.244 1.017 . . . . 0.0 111.801 178.352 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.483 . . . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.383 . . -60.86 -31.31 70.76 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 119.459 -2.026 . . . . 0.0 116.215 171.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.384 67.6 m-70 -75.29 -49.31 19.61 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 119.823 3.268 . . . . 0.0 119.823 154.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 30' ' ' GLU 0.437 0.0 OUTLIER -66.49 -36.3 82.4 Favored 'General case' 0 N--CA 1.52 3.039 0 CA-C-N 123.219 2.736 . . . . 0.0 116.944 176.118 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' HA ' HD13 ' A' ' 37' ' ' LEU 0.269 0.2 OUTLIER -67.51 -51.43 51.06 Favored 'General case' 0 CA--C 1.593 2.628 2 N-CA-C 134.917 8.858 . . . . 0.0 134.917 134.422 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.976 0.0 OUTLIER -57.52 -27.99 63.06 Favored 'General case' 1 C--N 1.445 4.748 2 CA-C-N 137.918 9.417 . . . . 0.0 114.355 -176.85 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.1 ptmt -53.0 -51.59 61.14 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 168.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.129 HD23 ' H ' ' A' ' 38' ' ' MET 0.306 0.0 OUTLIER -74.26 -53.84 8.92 Favored 'General case' 0 C--N 1.375 1.692 1 N-CA-C 122.951 4.426 . . . . 0.0 122.951 -128.26 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 1.129 ' H ' HD23 ' A' ' 37' ' ' LEU . 26.9 ttm -79.47 -53.12 7.2 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 131.033 3.733 . . . . 0.0 120.368 155.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.547 0.0 OUTLIER -75.82 -46.71 28.99 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 128.012 2.525 . . . . 0.0 112.128 -170.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 16.1 mt -75.53 -45.05 40.46 Favored 'Isoleucine or valine' 0 C--N 1.4 2.786 0 CA-C-N 123.419 2.827 . . . . 0.0 110.588 -177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mt . . . . . 0 CA--C 1.609 3.221 0 CA-C-O 123.296 1.522 . . . . 0.0 109.504 159.381 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.457 . . . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.81 70.32 Favored 'General case' 0 CA--C 1.576 1.977 0 CA-C-N 121.988 2.176 . . . . 0.0 114.477 168.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -68.08 -49.23 62.54 Favored 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.927 2.936 . . . . 0.0 118.927 161.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.518 0.0 OUTLIER -65.56 -29.68 70.33 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 127.868 2.467 . . . . 0.0 113.834 171.984 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' ND2' HD12 ' A' ' 37' ' ' LEU 0.751 1.7 m-80 -62.02 -30.63 71.09 Favored 'General case' 0 CA--C 1.598 2.8 2 N-CA-C 148.022 13.712 . . . . 0.0 148.022 126.195 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HG3' HG13 ' A' ' 40' ' ' ILE 1.151 2.5 tpp85 -72.77 -26.19 61.45 Favored 'General case' 0 C--N 1.42 3.666 2 CA-C-N 134.72 7.963 . . . . 0.0 116.841 147.052 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 16.5 ptmt -54.05 -51.11 65.11 Favored 'General case' 0 CA--C 1.581 2.146 0 N-CA-C 119.013 2.968 . . . . 0.0 119.013 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.895 HD23 ' H ' ' A' ' 38' ' ' MET 0.328 0.0 OUTLIER -71.91 -54.02 11.31 Favored 'General case' 0 CA--C 1.569 1.695 1 N-CA-C 128.709 6.559 . . . . 0.0 128.709 -122.936 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.895 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.4 tmm? -78.74 -48.92 13.97 Favored 'General case' 0 N--CA 1.449 -0.52 1 C-N-CA 134.765 5.226 . . . . 0.0 112.465 131.181 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.652 ' H ' HD22 ' A' ' 37' ' ' LEU 0.778 1.8 pt-20 -57.05 -44.44 82.98 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.58 2.352 . . . . 0.0 114.49 -159.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.511 HG13 ' HG3' ' A' ' 35' ' ' ARG . 10.5 mt -76.27 -49.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.388 2.262 0 CA-C-N 124.358 3.254 . . . . 0.0 114.552 154.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.277 87.3 mt . . . . . 0 N--CA 1.515 2.787 0 C-N-CA 125.629 1.572 . . . . 0.0 112.774 -164.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.317 . . . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.84 65.71 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 120.914 1.688 . . . . 0.0 112.924 170.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.4 m-70 -65.99 -47.12 75.6 Favored 'General case' 0 N--CA 1.521 3.08 0 C-N-CA 129.0 2.92 . . . . 0.0 118.505 164.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.88 -48.29 75.86 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 128.803 2.841 . . . . 0.0 105.544 168.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.625 ' ND2' HD12 ' A' ' 37' ' ' LEU 0.888 2.1 m-80 -53.84 -27.08 27.55 Favored 'General case' 0 CA--C 1.588 2.437 2 N-CA-C 142.43 11.641 . . . . 0.0 142.43 146.573 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 40' ' ' ILE 1.077 0.2 OUTLIER -75.18 -28.31 60.0 Favored 'General case' 1 C--N 1.429 4.043 2 CA-C-N 134.581 7.901 . . . . 0.0 118.593 133.164 . . . . . . . . 6 4 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 1.2 ptmt -55.7 -51.42 67.36 Favored 'General case' 0 C--N 1.39 2.367 0 CA-C-N 124.563 3.347 . . . . 0.0 119.321 174.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.912 HD23 ' H ' ' A' ' 38' ' ' MET 0.325 0.0 OUTLIER -69.09 -52.95 23.12 Favored 'General case' 0 CA--C 1.574 1.892 1 N-CA-C 128.87 6.619 . . . . 0.0 128.87 -123.557 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.912 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.4 tmm? -78.21 -47.83 17.14 Favored 'General case' 0 N--CA 1.448 -0.533 1 C-N-CA 133.953 4.901 . . . . 0.0 111.924 131.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.685 ' H ' HD22 ' A' ' 37' ' ' LEU 0.839 3.2 pt-20 -57.86 -43.62 86.07 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.147 2.579 . . . . 0.0 115.688 -160.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' ARG . 95.3 mt -75.72 -50.48 23.32 Favored 'Isoleucine or valine' 0 C--N 1.392 2.444 0 CA-C-N 124.393 3.269 . . . . 0.0 112.857 151.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.311 86.2 mt . . . . . 0 N--CA 1.514 2.743 0 CA-C-N 119.632 1.105 . . . . 0.0 113.179 -158.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.67 69.87 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 120.248 1.386 . . . . 0.0 114.543 -136.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -71.81 -44.96 63.03 Favored 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 127.871 2.468 . . . . 0.0 116.524 169.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -64.86 -31.51 72.77 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 123.161 2.71 . . . . 0.0 114.619 170.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.608 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.89 -53.38 18.27 Favored 'General case' 0 CA--C 1.585 2.291 2 N-CA-C 134.678 8.77 . . . . 0.0 134.678 133.432 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.51 0.0 OUTLIER -61.94 -25.94 67.9 Favored 'General case' 0 C--N 1.419 3.628 2 CA-C-N 138.967 9.894 . . . . 0.0 114.411 -168.655 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.261 6.0 ptmt -50.42 -44.89 55.44 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 163.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.779 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -70.87 -53.22 15.95 Favored 'General case' 0 CA--C 1.561 1.382 1 N-CA-C 130.964 7.394 . . . . 0.0 130.964 -142.741 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.779 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 19.9 mmm -79.67 -52.49 7.9 Favored 'General case' 0 C--N 1.344 0.363 2 CA-C-N 127.694 4.77 . . . . 0.0 119.1 141.1 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.532 0.0 OUTLIER -74.39 -35.84 63.49 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.525 1.93 . . . . 0.0 112.723 -160.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.28 6.8 mt -75.99 -32.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.393 2.47 0 CA-C-N 122.474 2.397 . . . . 0.0 116.217 177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.528 3.467 0 CA-C-N 120.261 1.391 . . . . 0.0 113.65 -143.569 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.43 68.52 Favored 'General case' 0 C--N 1.366 1.286 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -136.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.7 -45.89 60.44 Favored 'General case' 0 N--CA 1.505 2.282 0 C-N-CA 127.999 2.52 . . . . 0.0 117.164 168.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.254 1.2 pptp? -64.19 -31.62 72.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 122.475 2.398 . . . . 0.0 114.751 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.601 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -70.57 -53.17 17.07 Favored 'General case' 0 CA--C 1.583 2.228 2 N-CA-C 134.56 8.726 . . . . 0.0 134.56 133.344 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -61.51 -26.29 67.82 Favored 'General case' 0 C--N 1.421 3.705 2 CA-C-N 139.18 9.991 . . . . 0.0 113.895 -168.348 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.273 8.4 ptmt -50.42 -44.51 55.28 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 165.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.761 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.384 0.3 OUTLIER -70.37 -52.84 19.58 Favored 'General case' 0 CA--C 1.559 1.299 1 N-CA-C 130.333 7.161 . . . . 0.0 130.333 -143.827 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.761 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 34.6 mmm -79.88 -52.72 7.53 Favored 'General case' 0 C--N 1.345 0.373 2 CA-C-N 128.177 4.989 . . . . 0.0 119.66 139.518 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.563 0.0 OUTLIER -74.53 -34.27 62.95 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 126.566 1.946 . . . . 0.0 113.31 -158.766 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 mt -75.58 -33.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.394 2.534 0 CA-C-N 122.528 2.422 . . . . 0.0 114.006 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm . . . . . 0 N--CA 1.527 3.386 0 CA-C-N 120.511 1.505 . . . . 0.0 112.908 -147.136 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 118.8 2.889 . . . . 0.0 118.8 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.33 64.87 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 120.947 1.703 . . . . 0.0 114.303 -167.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.251 56.3 m-70 -74.52 -50.71 17.09 Favored 'General case' 0 C--N 1.378 1.847 0 CA-C-O 113.372 -3.204 . . . . 0.0 116.506 157.294 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.423 0.0 OUTLIER -59.59 -43.3 93.73 Favored 'General case' 0 N--CA 1.532 3.662 1 CA-C-N 127.037 4.471 . . . . 0.0 112.069 -175.821 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.867 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.33 -51.44 69.5 Favored 'General case' 0 CA--C 1.602 2.943 2 N-CA-C 134.799 8.814 . . . . 0.0 134.799 145.162 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.648 0.0 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 1 C--N 1.438 4.447 2 CA-C-N 137.192 9.087 . . . . 0.0 111.105 179.739 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 32' ' ' HIS 0.252 3.3 ptpt -53.04 -50.46 64.25 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 171.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.867 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.363 0.0 OUTLIER -69.77 -53.07 20.03 Favored 'General case' 0 C--N 1.372 1.574 1 N-CA-C 122.859 4.392 . . . . 0.0 122.859 -132.003 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.858 ' H ' HD23 ' A' ' 37' ' ' LEU . 4.8 ttp -78.32 -50.93 10.89 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-N 123.796 2.998 . . . . 0.0 115.907 154.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.73 0.1 OUTLIER -73.02 -47.4 45.28 Favored 'General case' 0 C--N 1.368 1.399 0 CA-C-O 117.263 -1.351 . . . . 0.0 111.817 -161.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -48.7 38.13 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-N 122.754 2.525 . . . . 0.0 109.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 mt . . . . . 0 CA--C 1.601 2.922 0 C-N-CA 126.36 1.864 . . . . 0.0 109.896 166.362 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.235 1 N-CA-C 124.233 4.901 . . . . 0.0 124.233 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.56 70.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 122.38 2.355 . . . . 0.0 111.852 -163.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.526 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 50.0 m80 -73.36 -27.31 61.42 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 120.235 3.42 . . . . 0.0 120.235 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.4 69.47 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 125.768 3.894 . . . . 0.0 105.458 167.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.848 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.03 -52.3 66.1 Favored 'General case' 0 CA--C 1.608 3.184 2 N-CA-C 139.657 10.614 . . . . 0.0 139.657 155.68 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.549 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.69 10.9 tpp85 -69.67 -28.07 65.56 Favored 'General case' 1 C--N 1.463 5.539 1 CA-C-N 135.966 8.53 . . . . 0.0 108.991 179.849 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.5 mtpt -51.16 -51.59 52.18 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 121.285 3.809 . . . . 0.0 121.285 164.562 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.486 0.0 OUTLIER -69.91 -54.3 14.02 Favored 'General case' 0 N--CA 1.502 2.157 1 N-CA-C 126.132 5.604 . . . . 0.0 126.132 -139.848 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.747 ' H ' HD23 ' A' ' 37' ' ' LEU . 29.2 ttp -78.86 -49.77 12.35 Favored 'General case' 0 C--N 1.349 0.563 1 C-N-CA 133.504 4.722 . . . . 0.0 112.884 144.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.549 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.2 pt-20 -68.58 -33.44 74.07 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.707 -160.033 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 35' ' ' ARG . 89.8 mt -77.78 -50.69 19.47 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.32 3.691 . . . . 0.0 111.528 155.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.338 36.8 mt . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 122.687 1.232 . . . . 0.0 113.339 -159.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 1 N-CA-C 124.261 4.911 . . . . 0.0 124.261 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.6 70.49 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.442 2.383 . . . . 0.0 111.865 -163.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.528 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 51.0 m80 -73.34 -27.24 61.4 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 120.282 3.438 . . . . 0.0 120.282 174.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -50.43 69.16 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 125.779 3.899 . . . . 0.0 105.385 167.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.847 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -57.99 -52.39 65.72 Favored 'General case' 0 CA--C 1.607 3.14 2 N-CA-C 139.595 10.591 . . . . 0.0 139.595 155.716 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.69 10.8 tpp85 -69.54 -28.14 65.76 Favored 'General case' 1 C--N 1.465 5.607 1 CA-C-N 136.03 8.559 . . . . 0.0 108.962 179.916 . . . . . . . . 5 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.4 mtpt -51.19 -51.55 52.71 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 121.358 3.836 . . . . 0.0 121.358 164.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.76 -54.29 14.38 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.155 5.613 . . . . 0.0 126.155 -140.011 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.748 ' H ' HD23 ' A' ' 37' ' ' LEU . 28.8 ttp -78.85 -49.78 12.35 Favored 'General case' 0 N--CA 1.447 -0.577 1 C-N-CA 133.501 4.72 . . . . 0.0 112.899 144.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.55 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.1 pt-20 -68.55 -33.5 74.2 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 115.428 -2.225 . . . . 0.0 113.61 -159.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.2 mt -77.8 -50.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.345 3.702 . . . . 0.0 111.557 155.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 36.1 mt . . . . . 0 N--CA 1.525 3.28 0 CA-C-O 122.76 1.267 . . . . 0.0 113.354 -159.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 1 N-CA-C 124.274 4.916 . . . . 0.0 124.274 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.5 70.54 Favored 'General case' 0 CA--C 1.57 1.73 0 CA-C-N 122.446 2.384 . . . . 0.0 111.72 -163.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.337 10.7 m80 -73.18 -26.98 61.39 Favored 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 174.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -50.47 68.27 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 116.607 -3.808 . . . . 0.0 105.294 167.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.847 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.17 -52.36 65.89 Favored 'General case' 0 CA--C 1.608 3.174 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.202 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.551 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.687 10.6 tpp85 -69.29 -28.11 65.99 Favored 'General case' 1 C--N 1.464 5.55 1 CA-C-N 135.98 8.536 . . . . 0.0 108.995 179.408 . . . . . . . . 5 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 27.1 mtpt -51.32 -51.51 53.72 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 121.336 3.828 . . . . 0.0 121.336 164.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.9 -54.23 14.37 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.197 5.628 . . . . 0.0 126.197 -139.86 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.747 ' H ' HD23 ' A' ' 37' ' ' LEU . 29.9 ttp -78.85 -49.82 12.28 Favored 'General case' 0 C--N 1.35 0.625 1 C-N-CA 133.514 4.726 . . . . 0.0 112.81 144.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.3 pt-20 -68.57 -33.44 74.09 Favored 'General case' 0 CA--C 1.569 1.678 0 CA-C-O 115.471 -2.204 . . . . 0.0 113.739 -159.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.0 mt -77.81 -50.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.408 3.113 0 CA-C-N 125.306 3.685 . . . . 0.0 111.567 155.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 35.4 mt . . . . . 0 N--CA 1.525 3.308 0 CA-C-O 122.679 1.228 . . . . 0.0 113.345 -159.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 1 N-CA-C 124.31 4.93 . . . . 0.0 124.31 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.62 -46.51 70.47 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-N 122.369 2.35 . . . . 0.0 111.807 -163.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.536 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.344 11.3 m80 -73.11 -27.01 61.45 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 173.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -50.39 68.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 116.549 -3.845 . . . . 0.0 105.416 167.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.851 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.22 -52.34 65.98 Favored 'General case' 0 CA--C 1.608 3.197 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.073 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.683 10.7 tpp85 -69.29 -28.27 66.14 Favored 'General case' 1 C--N 1.466 5.631 1 CA-C-N 135.981 8.537 . . . . 0.0 108.876 179.494 . . . . . . . . 5 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 15.8 mtpt -51.3 -51.46 54.1 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 121.426 3.862 . . . . 0.0 121.426 164.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.851 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.494 0.0 OUTLIER -69.89 -54.31 14.01 Favored 'General case' 0 N--CA 1.502 2.132 1 N-CA-C 126.414 5.709 . . . . 0.0 126.414 -139.729 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.719 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.7 tmm? -79.09 -49.28 12.87 Favored 'General case' 0 N--CA 1.447 -0.588 1 C-N-CA 133.702 4.801 . . . . 0.0 113.216 143.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.59 ' H ' HD23 ' A' ' 37' ' ' LEU 0.967 9.6 pt-20 -67.03 -34.13 77.04 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 115.319 -2.277 . . . . 0.0 113.799 -161.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.8 mt -77.95 -50.66 19.33 Favored 'Isoleucine or valine' 0 C--N 1.408 3.14 0 CA-C-N 125.417 3.735 . . . . 0.0 111.651 155.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.34 36.9 mt . . . . . 0 N--CA 1.525 3.295 0 CA-C-O 122.637 1.208 . . . . 0.0 113.303 -159.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.32 . . . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.27 -33.17 65.22 Favored 'General case' 0 CA--C 1.587 2.385 0 CA-C-N 120.295 1.407 . . . . 0.0 112.659 168.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -72.83 -31.83 65.06 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 123.417 4.599 . . . . 0.0 123.417 162.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -70.91 -41.22 71.52 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 130.345 3.458 . . . . 0.0 110.254 164.169 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.845 HD22 HD12 ' A' ' 37' ' ' LEU 0.666 20.4 m120 -62.67 -29.56 70.73 Favored 'General case' 0 CA--C 1.603 2.992 2 N-CA-C 145.87 12.915 . . . . 0.0 145.87 139.27 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.02 1.9 tpp85 -71.24 -25.87 62.66 Favored 'General case' 1 C--N 1.43 4.066 2 CA-C-N 135.643 8.383 . . . . 0.0 116.636 147.171 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -52.5 -51.39 59.71 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 113.759 -3.176 . . . . 0.0 117.844 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD12 HD22 ' A' ' 34' ' ' ASN 0.337 0.0 OUTLIER -72.59 -53.84 10.79 Favored 'General case' 0 N--CA 1.5 2.05 1 N-CA-C 128.65 6.537 . . . . 0.0 128.65 -119.607 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.784 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.3 tmm? -78.44 -50.12 12.24 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 131.521 3.928 . . . . 0.0 112.088 137.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.717 0.3 OUTLIER -62.44 -44.52 96.22 Favored 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 128.969 2.907 . . . . 0.0 113.538 -156.422 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mt -76.02 -46.46 34.4 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-N 123.458 2.844 . . . . 0.0 113.359 161.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.522 3.162 0 CA-C-N 120.507 1.503 . . . . 0.0 109.512 -172.658 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.453 . . . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.304 . . -58.49 -30.8 67.3 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 121.741 2.064 . . . . 0.0 115.915 176.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.367 68.4 m-70 -74.95 -48.88 22.17 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 156.291 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 30' ' ' GLU 0.44 0.0 OUTLIER -66.02 -36.28 82.84 Favored 'General case' 0 N--CA 1.518 2.965 0 CA-C-N 123.388 2.813 . . . . 0.0 116.342 175.646 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.32 -51.79 48.16 Favored 'General case' 0 CA--C 1.587 2.388 2 N-CA-C 135.741 9.163 . . . . 0.0 135.741 134.703 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' O ' HG13 ' A' ' 40' ' ' ILE 0.913 0.1 OUTLIER -57.04 -29.5 63.44 Favored 'General case' 1 C--N 1.448 4.851 2 CA-C-N 137.715 9.325 . . . . 0.0 113.483 -176.104 . . . . . . . . 6 4 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.4 ptmt -52.52 -51.35 59.98 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.068 HD23 ' H ' ' A' ' 38' ' ' MET 0.298 0.0 OUTLIER -74.02 -53.11 10.73 Favored 'General case' 0 CA--C 1.569 1.711 1 N-CA-C 123.004 4.446 . . . . 0.0 123.004 -134.019 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 1.068 ' H ' HD23 ' A' ' 37' ' ' LEU . 31.3 ttm -78.55 -52.07 9.02 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 130.121 3.368 . . . . 0.0 117.071 161.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.515 0.0 OUTLIER -74.82 -45.25 44.58 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 129.313 3.045 . . . . 0.0 111.85 -172.471 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 35' ' ' ARG 0.261 2.9 mt -76.34 -49.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.406 3.04 0 CA-C-N 125.654 3.843 . . . . 0.0 113.676 -177.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.603 3.014 0 C-N-CA 127.148 2.179 . . . . 0.0 108.216 150.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 118.3 2.704 . . . . 0.0 118.3 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.97 64.04 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -120.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -68.81 -46.78 67.74 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 121.744 2.066 . . . . 0.0 116.11 170.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -32.2 71.54 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 122.815 2.552 . . . . 0.0 115.582 170.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.605 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -70.31 -53.37 17.04 Favored 'General case' 0 CA--C 1.581 2.168 2 N-CA-C 135.28 8.992 . . . . 0.0 135.28 131.477 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.516 0.0 OUTLIER -62.1 -25.74 67.89 Favored 'General case' 0 C--N 1.416 3.474 2 CA-C-N 139.005 9.912 . . . . 0.0 114.622 -167.606 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HB ' ' A' ' 40' ' ' ILE 0.268 7.0 ptmt -50.65 -45.11 57.72 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 163.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.782 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -71.04 -53.09 15.94 Favored 'General case' 0 CA--C 1.561 1.37 1 N-CA-C 130.663 7.283 . . . . 0.0 130.663 -142.761 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.782 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 36.2 mmm -79.7 -52.46 7.92 Favored 'General case' 0 C--N 1.345 0.372 2 CA-C-N 127.725 4.784 . . . . 0.0 119.152 141.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.525 0.0 OUTLIER -74.52 -36.29 63.19 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.785 2.034 . . . . 0.0 112.808 -160.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 36' ' ' LYS 0.285 7.0 mt -76.03 -32.1 22.73 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-N 122.61 2.459 . . . . 0.0 116.114 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.528 3.429 0 CA-C-N 120.18 1.355 . . . . 0.0 113.707 -144.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.319 . . . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.92 65.57 Favored 'General case' 0 CA--C 1.584 2.281 0 CA-C-N 120.334 1.425 . . . . 0.0 112.741 168.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -72.48 -33.71 67.18 Favored 'General case' 0 N--CA 1.524 3.241 1 N-CA-C 122.728 4.344 . . . . 0.0 122.728 162.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -69.45 -41.83 75.72 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 130.047 3.339 . . . . 0.0 110.261 165.103 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.886 HD22 HD12 ' A' ' 37' ' ' LEU 0.716 19.5 m120 -60.77 -29.48 69.44 Favored 'General case' 0 CA--C 1.601 2.912 2 N-CA-C 146.032 12.975 . . . . 0.0 146.032 138.76 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.051 1.5 tpp85 -71.51 -25.85 62.42 Favored 'General case' 0 C--N 1.428 3.986 2 CA-C-N 135.348 8.249 . . . . 0.0 117.079 145.617 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -52.48 -51.34 59.9 Favored 'General case' 0 CA--C 1.593 2.597 0 C-N-CA 113.374 -3.33 . . . . 0.0 117.841 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.886 HD12 HD22 ' A' ' 34' ' ' ASN 0.338 0.0 OUTLIER -72.07 -53.71 12.03 Favored 'General case' 0 N--CA 1.501 2.106 1 N-CA-C 129.184 6.735 . . . . 0.0 129.184 -119.732 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.772 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.6 tmm? -78.46 -50.2 12.08 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 125.934 3.97 . . . . 0.0 112.239 136.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.713 0.3 OUTLIER -61.55 -44.67 96.62 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 129.313 3.045 . . . . 0.0 113.699 -157.167 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.12 -46.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.391 2.413 0 CA-C-N 123.577 2.899 . . . . 0.0 113.336 161.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.521 3.124 0 CA-C-N 120.676 1.58 . . . . 0.0 109.509 -173.608 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.616 . . . . . . . 0 N--CA 1.454 -0.257 1 N-CA-C 122.35 4.204 . . . . 0.0 122.35 . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.4 88.99 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 -165.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.286 80.7 m-70 -74.09 -49.76 22.53 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 115.293 -2.289 . . . . 0.0 116.39 163.066 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.266 2.8 ptmm? -63.48 -36.4 83.64 Favored 'General case' 0 N--CA 1.509 2.524 0 CA-C-N 124.587 3.358 . . . . 0.0 112.66 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.511 HD22 ' C ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -66.63 -53.09 37.81 Favored 'General case' 0 CA--C 1.596 2.714 2 N-CA-C 132.985 8.143 . . . . 0.0 132.985 139.392 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.528 0.4 OUTLIER -60.02 -25.52 65.36 Favored 'General case' 0 C--N 1.426 3.92 2 CA-C-N 139.496 10.135 . . . . 0.0 113.317 -174.843 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -51.57 -50.26 60.45 Favored 'General case' 0 CA--C 1.596 2.734 0 C-N-CA 113.129 -3.428 . . . . 0.0 116.445 163.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.767 ' CD2' ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -59.68 -52.78 64.02 Favored 'General case' 0 CA--C 1.563 1.466 1 N-CA-C 126.174 5.62 . . . . 0.0 126.174 -121.724 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.767 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 58.0 mtm -79.38 -50.45 10.81 Favored 'General case' 0 C--N 1.353 0.745 1 C-N-CA 131.962 4.105 . . . . 0.0 118.372 140.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.63 1.0 OUTLIER -68.76 -38.15 79.86 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.921 1.688 . . . . 0.0 113.549 -155.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 6.8 mm -75.69 -37.8 36.73 Favored 'Isoleucine or valine' 0 C--N 1.385 2.126 0 CA-C-N 120.747 1.612 . . . . 0.0 113.984 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mm . . . . . 0 N--CA 1.522 3.154 0 O-C-N 119.363 -2.085 . . . . 0.0 114.359 -104.043 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . . . . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 120.611 3.56 . . . . 0.0 120.611 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -31.59 60.79 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.282 1.856 . . . . 0.0 114.566 -165.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.709 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.5 m-70 -75.13 -51.78 12.61 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 112.726 -3.511 . . . . 0.0 116.258 155.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 30' ' ' GLU 0.693 0.0 OUTLIER -60.08 -40.71 90.47 Favored 'General case' 0 N--CA 1.529 3.505 1 CA-C-N 128.62 5.191 . . . . 0.0 114.568 -178.106 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.09 -52.76 62.6 Favored 'General case' 0 CA--C 1.584 2.272 2 N-CA-C 134.235 8.606 . . . . 0.0 134.235 141.968 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.773 0.0 OUTLIER -63.56 -28.67 70.1 Favored 'General case' 1 C--N 1.432 4.166 2 CA-C-N 137.671 9.305 . . . . 0.0 112.543 -171.72 . . . . . . . . 5 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 3.2 ptmt -53.26 -50.98 63.7 Favored 'General case' 0 CA--C 1.582 2.211 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 167.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.998 HD23 ' H ' ' A' ' 38' ' ' MET 0.275 0.0 OUTLIER -63.37 -53.41 52.9 Favored 'General case' 0 N--CA 1.506 2.329 1 N-CA-C 125.063 5.209 . . . . 0.0 125.063 -119.664 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.998 ' H ' HD23 ' A' ' 37' ' ' LEU . 9.7 tpp -78.39 -50.21 12.14 Favored 'General case' 0 C--N 1.366 1.301 0 CA-C-N 125.126 3.603 . . . . 0.0 116.85 153.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.797 0.6 OUTLIER -73.36 -44.47 58.62 Favored 'General case' 0 CA--C 1.572 1.819 0 C-N-CA 127.088 2.155 . . . . 0.0 116.1 -161.512 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 15.4 mm -76.13 -47.22 32.07 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 CA-C-N 122.212 2.278 . . . . 0.0 114.158 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.296 91.9 mt . . . . . 0 N--CA 1.516 2.828 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -151.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.02 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -59.84 -35.19 74.25 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.42 71.17 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 121.187 1.812 . . . . 0.0 113.236 -133.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.294 75.9 t60 -72.94 -31.93 64.92 Favored 'General case' 0 N--CA 1.515 2.808 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -41.03 98.11 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 123.437 2.835 . . . . 0.0 110.512 163.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.75 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -67.35 -52.08 44.44 Favored 'General case' 0 CA--C 1.61 3.276 2 N-CA-C 135.375 9.028 . . . . 0.0 135.375 145.182 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.489 0.0 OUTLIER -59.13 -27.23 65.43 Favored 'General case' 1 C--N 1.436 4.352 2 CA-C-N 137.947 9.43 . . . . 0.0 112.863 -176.295 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 14.6 ptmt -51.87 -50.06 61.72 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 166.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.068 HD23 ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -72.77 -51.9 17.21 Favored 'General case' 0 C--N 1.374 1.667 1 N-CA-C 125.136 5.236 . . . . 0.0 125.136 -139.966 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 1.068 ' H ' HD23 ' A' ' 37' ' ' LEU . 35.8 mmm -80.06 -52.47 7.76 Favored 'General case' 0 C--N 1.357 0.894 2 CA-C-N 126.708 4.322 . . . . 0.0 120.593 143.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.652 0.0 OUTLIER -74.24 -30.94 62.38 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 116.301 -1.809 . . . . 0.0 114.797 -160.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 35' ' ' ARG . 75.3 mt -73.9 -49.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.398 2.68 0 CA-C-N 122.941 2.61 . . . . 0.0 110.867 168.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm -53.31 -29.48 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.728 0 O-C-N 117.243 -3.41 . . . . 0.0 112.737 -95.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.51 0 O-C-N 120.759 -1.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.439 . . -54.38 -33.89 60.1 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.65 59.9 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 122.148 2.249 . . . . 0.0 115.097 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.474 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.338 70.0 m-70 -74.03 -48.65 28.61 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 118.796 2.887 . . . . 0.0 118.796 157.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.429 0.0 OUTLIER -66.13 -36.44 83.15 Favored 'General case' 0 N--CA 1.514 2.77 0 CA-C-N 123.629 2.922 . . . . 0.0 116.31 175.331 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -66.31 -51.82 53.48 Favored 'General case' 0 CA--C 1.599 2.841 2 N-CA-C 135.085 8.92 . . . . 0.0 135.085 135.497 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.998 0.0 OUTLIER -58.56 -27.14 64.31 Favored 'General case' 1 C--N 1.438 4.431 2 CA-C-N 137.257 9.117 . . . . 0.0 114.886 -177.814 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 10.6 ptmt -53.37 -51.9 60.98 Favored 'General case' 0 CA--C 1.588 2.418 0 C-N-CA 114.808 -2.757 . . . . 0.0 118.313 164.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.931 HD23 ' H ' ' A' ' 38' ' ' MET 0.334 0.0 OUTLIER -74.96 -53.86 8.23 Favored 'General case' 0 C--N 1.378 1.805 1 N-CA-C 125.845 5.498 . . . . 0.0 125.845 -126.884 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.931 ' H ' HD23 ' A' ' 37' ' ' LEU . 30.8 ttm -79.06 -52.71 7.84 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 131.145 3.778 . . . . 0.0 118.197 150.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.599 0.0 OUTLIER -75.42 -45.12 40.81 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 126.199 1.8 . . . . 0.0 112.458 -166.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mt -75.09 -47.29 36.86 Favored 'Isoleucine or valine' 0 C--N 1.399 2.739 0 CA-C-N 123.302 2.774 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 37' ' ' LEU . 14.3 mt -56.8 -7.29 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.877 0 CA-C-O 125.355 2.502 . . . . 0.0 111.717 166.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.514 0 CA-C-N 112.614 -2.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.475 . . -49.96 -30.38 10.27 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.21 70.12 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 121.118 1.781 . . . . 0.0 114.753 168.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.324 39.1 m80 -71.1 -47.33 58.77 Favored 'General case' 0 N--CA 1.516 2.853 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 163.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.431 0.0 OUTLIER -68.17 -30.4 69.49 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 127.518 2.327 . . . . 0.0 113.119 173.132 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.822 HD22 HD12 ' A' ' 37' ' ' LEU 0.713 3.6 m120 -62.4 -31.37 72.04 Favored 'General case' 0 CA--C 1.601 2.905 2 N-CA-C 146.553 13.168 . . . . 0.0 146.553 128.571 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.145 2.8 tpp85 -71.71 -26.22 62.4 Favored 'General case' 0 C--N 1.423 3.781 2 CA-C-N 134.961 8.073 . . . . 0.0 116.339 147.844 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -54.05 -51.42 64.12 Favored 'General case' 0 CA--C 1.587 2.394 0 C-N-CA 114.142 -3.023 . . . . 0.0 119.042 168.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.917 HD23 ' H ' ' A' ' 38' ' ' MET 0.335 0.0 OUTLIER -72.15 -54.11 10.7 Favored 'General case' 0 N--CA 1.493 1.684 1 N-CA-C 128.537 6.495 . . . . 0.0 128.537 -122.981 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.917 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.6 tmm? -78.84 -48.74 14.15 Favored 'General case' 0 N--CA 1.447 -0.58 1 C-N-CA 134.645 5.178 . . . . 0.0 112.334 131.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.636 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.794 2.1 pt-20 -57.43 -44.22 84.49 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.107 2.163 . . . . 0.0 114.598 -159.509 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.92 -49.24 26.57 Favored 'Isoleucine or valine' 0 C--N 1.388 2.263 0 CA-C-N 124.18 3.173 . . . . 0.0 114.12 155.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.278 86.3 mt -61.8 -13.98 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.738 0 C-N-CA 125.61 1.564 . . . . 0.0 112.66 -164.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.814 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.188 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . -30.31 -47.99 0.09 Allowed 'General case' 0 C--N 1.358 0.972 2 N-CA-C 125.501 5.371 . . . . 0.0 125.501 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.81 -28.26 21.84 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 123.627 2.921 . . . . 0.0 116.75 -126.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.8 t-80 -68.46 -49.34 60.58 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 122.588 2.449 . . . . 0.0 116.472 167.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' H ' ' HG3' ' A' ' 33' ' ' LYS 0.318 0.0 OUTLIER -60.39 -44.57 95.52 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-N 124.208 3.185 . . . . 0.0 114.031 176.474 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.81 ' HA ' HD13 ' A' ' 37' ' ' LEU 0.314 0.2 OUTLIER -61.62 -52.0 66.16 Favored 'General case' 0 CA--C 1.591 2.553 2 N-CA-C 132.309 7.892 . . . . 0.0 132.309 143.311 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HD2' ' OE2' ' A' ' 39' ' ' GLU 1.035 0.0 OUTLIER -61.77 -26.18 67.93 Favored 'General case' 1 C--N 1.431 4.145 2 CA-C-N 136.63 8.832 . . . . 0.0 116.133 -179.442 . . . . . . . . 6 4 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 6.7 ptpt -53.57 -52.56 59.33 Favored 'General case' 0 CA--C 1.598 2.809 0 C-N-CA 111.97 -3.892 . . . . 0.0 118.498 160.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.048 HD23 ' H ' ' A' ' 38' ' ' MET 0.303 0.0 OUTLIER -76.16 -54.17 7.21 Favored 'General case' 0 C--N 1.38 1.896 1 N-CA-C 126.899 5.889 . . . . 0.0 126.899 -132.31 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 1.048 ' H ' HD23 ' A' ' 37' ' ' LEU . 17.8 tpp -80.06 -53.48 6.68 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 164.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' OE2' ' HD2' ' A' ' 35' ' ' ARG 0.519 0.0 OUTLIER -76.9 -48.54 17.95 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 128.588 2.755 . . . . 0.0 112.705 -172.915 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.327 22.5 mm -77.83 -42.72 28.85 Favored 'Isoleucine or valine' 0 C--N 1.397 2.633 0 CA-C-N 121.703 2.047 . . . . 0.0 115.973 -168.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -56.74 -6.34 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.804 0 C-N-CA 124.244 1.017 . . . . 0.0 111.801 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 1.216 0 O-C-N 119.57 -1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.483 . . -57.87 -31.19 66.46 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.383 . . -60.86 -31.31 70.76 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 119.459 -2.026 . . . . 0.0 116.215 171.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.384 67.6 m-70 -75.29 -49.31 19.61 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 119.823 3.268 . . . . 0.0 119.823 154.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 30' ' ' GLU 0.437 0.0 OUTLIER -66.49 -36.3 82.4 Favored 'General case' 0 N--CA 1.52 3.039 0 CA-C-N 123.219 2.736 . . . . 0.0 116.944 176.118 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' HA ' HD13 ' A' ' 37' ' ' LEU 0.269 0.2 OUTLIER -67.51 -51.43 51.06 Favored 'General case' 0 CA--C 1.593 2.628 2 N-CA-C 134.917 8.858 . . . . 0.0 134.917 134.422 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.976 0.0 OUTLIER -57.52 -27.99 63.06 Favored 'General case' 1 C--N 1.445 4.748 2 CA-C-N 137.918 9.417 . . . . 0.0 114.355 -176.85 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.1 ptmt -53.0 -51.59 61.14 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 168.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.129 HD23 ' H ' ' A' ' 38' ' ' MET 0.306 0.0 OUTLIER -74.26 -53.84 8.92 Favored 'General case' 0 C--N 1.375 1.692 1 N-CA-C 122.951 4.426 . . . . 0.0 122.951 -128.26 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 1.129 ' H ' HD23 ' A' ' 37' ' ' LEU . 26.9 ttm -79.47 -53.12 7.2 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 131.033 3.733 . . . . 0.0 120.368 155.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.547 0.0 OUTLIER -75.82 -46.71 28.99 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 128.012 2.525 . . . . 0.0 112.128 -170.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 16.1 mt -75.53 -45.05 40.46 Favored 'Isoleucine or valine' 0 C--N 1.4 2.786 0 CA-C-N 123.419 2.827 . . . . 0.0 110.588 -177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.22 25.79 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.609 3.221 0 CA-C-O 123.296 1.522 . . . . 0.0 109.504 159.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.352 0 O-C-N 118.94 -2.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.457 . . -47.82 -32.54 6.2 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.81 70.32 Favored 'General case' 0 CA--C 1.576 1.977 0 CA-C-N 121.988 2.176 . . . . 0.0 114.477 168.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -68.08 -49.23 62.54 Favored 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.927 2.936 . . . . 0.0 118.927 161.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 30' ' ' GLU 0.518 0.0 OUTLIER -65.56 -29.68 70.33 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 127.868 2.467 . . . . 0.0 113.834 171.984 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.503 ' ND2' HD12 ' A' ' 37' ' ' LEU 0.751 1.7 m-80 -62.02 -30.63 71.09 Favored 'General case' 0 CA--C 1.598 2.8 2 N-CA-C 148.022 13.712 . . . . 0.0 148.022 126.195 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HG3' HG13 ' A' ' 40' ' ' ILE 1.151 2.5 tpp85 -72.77 -26.19 61.45 Favored 'General case' 0 C--N 1.42 3.666 2 CA-C-N 134.72 7.963 . . . . 0.0 116.841 147.052 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 37' ' ' LEU . 16.5 ptmt -54.05 -51.11 65.11 Favored 'General case' 0 CA--C 1.581 2.146 0 N-CA-C 119.013 2.968 . . . . 0.0 119.013 168.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.895 HD23 ' H ' ' A' ' 38' ' ' MET 0.328 0.0 OUTLIER -71.91 -54.02 11.31 Favored 'General case' 0 CA--C 1.569 1.695 1 N-CA-C 128.709 6.559 . . . . 0.0 128.709 -122.936 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.895 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.4 tmm? -78.74 -48.92 13.97 Favored 'General case' 0 N--CA 1.449 -0.52 1 C-N-CA 134.765 5.226 . . . . 0.0 112.465 131.181 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.652 ' H ' HD22 ' A' ' 37' ' ' LEU 0.778 1.8 pt-20 -57.05 -44.44 82.98 Favored 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 127.58 2.352 . . . . 0.0 114.49 -159.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.511 HG13 ' HG3' ' A' ' 35' ' ' ARG . 10.5 mt -76.27 -49.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.388 2.262 0 CA-C-N 124.358 3.254 . . . . 0.0 114.552 154.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.277 87.3 mt -60.6 -13.76 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.787 0 C-N-CA 125.629 1.572 . . . . 0.0 112.774 -164.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.8 0 O-C-N 120.07 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.317 . . -49.5 -32.99 13.35 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.84 65.71 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 120.914 1.688 . . . . 0.0 112.924 170.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.4 m-70 -65.99 -47.12 75.6 Favored 'General case' 0 N--CA 1.521 3.08 0 C-N-CA 129.0 2.92 . . . . 0.0 118.505 164.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.88 -48.29 75.86 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 128.803 2.841 . . . . 0.0 105.544 168.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.625 ' ND2' HD12 ' A' ' 37' ' ' LEU 0.888 2.1 m-80 -53.84 -27.08 27.55 Favored 'General case' 0 CA--C 1.588 2.437 2 N-CA-C 142.43 11.641 . . . . 0.0 142.43 146.573 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 40' ' ' ILE 1.077 0.2 OUTLIER -75.18 -28.31 60.0 Favored 'General case' 1 C--N 1.429 4.043 2 CA-C-N 134.581 7.901 . . . . 0.0 118.593 133.164 . . . . . . . . 6 4 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 1.2 ptmt -55.7 -51.42 67.36 Favored 'General case' 0 C--N 1.39 2.367 0 CA-C-N 124.563 3.347 . . . . 0.0 119.321 174.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.912 HD23 ' H ' ' A' ' 38' ' ' MET 0.325 0.0 OUTLIER -69.09 -52.95 23.12 Favored 'General case' 0 CA--C 1.574 1.892 1 N-CA-C 128.87 6.619 . . . . 0.0 128.87 -123.557 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.912 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.4 tmm? -78.21 -47.83 17.14 Favored 'General case' 0 N--CA 1.448 -0.533 1 C-N-CA 133.953 4.901 . . . . 0.0 111.924 131.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.685 ' H ' HD22 ' A' ' 37' ' ' LEU 0.839 3.2 pt-20 -57.86 -43.62 86.07 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.147 2.579 . . . . 0.0 115.688 -160.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' ARG . 95.3 mt -75.72 -50.48 23.32 Favored 'Isoleucine or valine' 0 C--N 1.392 2.444 0 CA-C-N 124.393 3.269 . . . . 0.0 112.857 151.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.311 86.2 mt -60.16 -17.67 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.743 0 CA-C-N 119.632 1.105 . . . . 0.0 113.179 -158.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.817 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -49.46 -45.54 46.8 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 118.462 2.764 . . . . 0.0 118.462 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.67 69.87 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 120.248 1.386 . . . . 0.0 114.543 -136.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -71.81 -44.96 63.03 Favored 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 127.871 2.468 . . . . 0.0 116.524 169.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -64.86 -31.51 72.77 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 123.161 2.71 . . . . 0.0 114.619 170.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.608 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.89 -53.38 18.27 Favored 'General case' 0 CA--C 1.585 2.291 2 N-CA-C 134.678 8.77 . . . . 0.0 134.678 133.432 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.51 0.0 OUTLIER -61.94 -25.94 67.9 Favored 'General case' 0 C--N 1.419 3.628 2 CA-C-N 138.967 9.894 . . . . 0.0 114.411 -168.655 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.261 6.0 ptmt -50.42 -44.89 55.44 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 163.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.779 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -70.87 -53.22 15.95 Favored 'General case' 0 CA--C 1.561 1.382 1 N-CA-C 130.964 7.394 . . . . 0.0 130.964 -142.741 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.779 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 19.9 mmm -79.67 -52.49 7.9 Favored 'General case' 0 C--N 1.344 0.363 2 CA-C-N 127.694 4.77 . . . . 0.0 119.1 141.1 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.532 0.0 OUTLIER -74.39 -35.84 63.49 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.525 1.93 . . . . 0.0 112.723 -160.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.28 6.8 mt -75.99 -32.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.393 2.47 0 CA-C-N 122.474 2.397 . . . . 0.0 116.217 177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -56.23 -27.28 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.467 0 CA-C-N 120.261 1.391 . . . . 0.0 113.65 -143.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.872 0 O-C-N 120.315 -1.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -51.58 -45.95 63.31 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.43 68.52 Favored 'General case' 0 C--N 1.366 1.286 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -136.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.7 -45.89 60.44 Favored 'General case' 0 N--CA 1.505 2.282 0 C-N-CA 127.999 2.52 . . . . 0.0 117.164 168.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.254 1.2 pptp? -64.19 -31.62 72.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 122.475 2.398 . . . . 0.0 114.751 170.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.601 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -70.57 -53.17 17.07 Favored 'General case' 0 CA--C 1.583 2.228 2 N-CA-C 134.56 8.726 . . . . 0.0 134.56 133.344 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.485 0.0 OUTLIER -61.51 -26.29 67.82 Favored 'General case' 0 C--N 1.421 3.705 2 CA-C-N 139.18 9.991 . . . . 0.0 113.895 -168.348 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.273 8.4 ptmt -50.42 -44.51 55.28 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 165.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.384 0.3 OUTLIER -70.37 -52.84 19.58 Favored 'General case' 0 CA--C 1.559 1.299 1 N-CA-C 130.333 7.161 . . . . 0.0 130.333 -143.827 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.761 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 34.6 mmm -79.88 -52.72 7.53 Favored 'General case' 0 C--N 1.345 0.373 2 CA-C-N 128.177 4.989 . . . . 0.0 119.66 139.518 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.563 0.0 OUTLIER -74.53 -34.27 62.95 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 126.566 1.946 . . . . 0.0 113.31 -158.766 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.8 mt -75.58 -33.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.394 2.534 0 CA-C-N 122.528 2.422 . . . . 0.0 114.006 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.98 -32.06 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.386 0 CA-C-N 120.511 1.505 . . . . 0.0 112.908 -147.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.917 0 O-C-N 120.533 -1.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -70.9 -31.06 67.58 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 130.782 3.633 . . . . 0.0 118.8 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.33 64.87 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 120.947 1.703 . . . . 0.0 114.303 -167.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.251 56.3 m-70 -74.52 -50.71 17.09 Favored 'General case' 0 C--N 1.378 1.847 0 CA-C-O 113.372 -3.204 . . . . 0.0 116.506 157.294 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.423 0.0 OUTLIER -59.59 -43.3 93.73 Favored 'General case' 0 N--CA 1.532 3.662 1 CA-C-N 127.037 4.471 . . . . 0.0 112.069 -175.821 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.867 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.33 -51.44 69.5 Favored 'General case' 0 CA--C 1.602 2.943 2 N-CA-C 134.799 8.814 . . . . 0.0 134.799 145.162 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.648 0.0 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 1 C--N 1.438 4.447 2 CA-C-N 137.192 9.087 . . . . 0.0 111.105 179.739 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 32' ' ' HIS 0.252 3.3 ptpt -53.04 -50.46 64.25 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 171.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.867 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.363 0.0 OUTLIER -69.77 -53.07 20.03 Favored 'General case' 0 C--N 1.372 1.574 1 N-CA-C 122.859 4.392 . . . . 0.0 122.859 -132.003 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.858 ' H ' HD23 ' A' ' 37' ' ' LEU . 4.8 ttp -78.32 -50.93 10.89 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-N 123.796 2.998 . . . . 0.0 115.907 154.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.73 0.1 OUTLIER -73.02 -47.4 45.28 Favored 'General case' 0 C--N 1.368 1.399 0 CA-C-O 117.263 -1.351 . . . . 0.0 111.817 -161.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -48.7 38.13 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-N 122.754 2.525 . . . . 0.0 109.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 mt -58.77 8.96 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.601 2.922 0 C-N-CA 126.36 1.864 . . . . 0.0 109.896 166.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.362 1.119 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -37.63 -34.62 0.11 Allowed 'General case' 0 C--N 1.354 0.788 2 C-N-CA 134.103 4.961 . . . . 0.0 124.233 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.56 70.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 122.38 2.355 . . . . 0.0 111.852 -163.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.526 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 50.0 m80 -73.36 -27.31 61.42 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 120.235 3.42 . . . . 0.0 120.235 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.4 69.47 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 125.768 3.894 . . . . 0.0 105.458 167.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.848 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.03 -52.3 66.1 Favored 'General case' 0 CA--C 1.608 3.184 2 N-CA-C 139.657 10.614 . . . . 0.0 139.657 155.68 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.549 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.69 10.9 tpp85 -69.67 -28.07 65.56 Favored 'General case' 1 C--N 1.463 5.539 1 CA-C-N 135.966 8.53 . . . . 0.0 108.991 179.849 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.5 mtpt -51.16 -51.59 52.18 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 121.285 3.809 . . . . 0.0 121.285 164.562 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.486 0.0 OUTLIER -69.91 -54.3 14.02 Favored 'General case' 0 N--CA 1.502 2.157 1 N-CA-C 126.132 5.604 . . . . 0.0 126.132 -139.848 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.747 ' H ' HD23 ' A' ' 37' ' ' LEU . 29.2 ttp -78.86 -49.77 12.35 Favored 'General case' 0 C--N 1.349 0.563 1 C-N-CA 133.504 4.722 . . . . 0.0 112.884 144.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.549 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.2 pt-20 -68.58 -33.44 74.07 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.707 -160.033 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 35' ' ' ARG . 89.8 mt -77.78 -50.69 19.47 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.32 3.691 . . . . 0.0 111.528 155.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.338 36.8 mt -65.69 -9.86 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.27 0 CA-C-O 122.687 1.232 . . . . 0.0 113.339 -159.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.913 0 O-C-N 119.883 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -37.82 -34.46 0.11 Allowed 'General case' 0 C--N 1.355 0.806 2 C-N-CA 134.084 4.953 . . . . 0.0 124.261 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.6 70.49 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.442 2.383 . . . . 0.0 111.865 -163.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.528 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 51.0 m80 -73.34 -27.24 61.4 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 120.282 3.438 . . . . 0.0 120.282 174.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -50.43 69.16 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 125.779 3.899 . . . . 0.0 105.385 167.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.847 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -57.99 -52.39 65.72 Favored 'General case' 0 CA--C 1.607 3.14 2 N-CA-C 139.595 10.591 . . . . 0.0 139.595 155.716 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.69 10.8 tpp85 -69.54 -28.14 65.76 Favored 'General case' 1 C--N 1.465 5.607 1 CA-C-N 136.03 8.559 . . . . 0.0 108.962 179.916 . . . . . . . . 5 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.393 27.4 mtpt -51.19 -51.55 52.71 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 121.358 3.836 . . . . 0.0 121.358 164.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.76 -54.29 14.38 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.155 5.613 . . . . 0.0 126.155 -140.011 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.748 ' H ' HD23 ' A' ' 37' ' ' LEU . 28.8 ttp -78.85 -49.78 12.35 Favored 'General case' 0 N--CA 1.447 -0.577 1 C-N-CA 133.501 4.72 . . . . 0.0 112.899 144.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.55 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.1 pt-20 -68.55 -33.5 74.2 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 115.428 -2.225 . . . . 0.0 113.61 -159.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.2 mt -77.8 -50.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.407 3.105 0 CA-C-N 125.345 3.702 . . . . 0.0 111.557 155.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 36.1 mt -65.72 -9.7 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.28 0 CA-C-O 122.76 1.267 . . . . 0.0 113.354 -159.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.977 0 O-C-N 119.882 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -37.4 -34.42 0.09 Allowed 'General case' 0 C--N 1.355 0.816 2 C-N-CA 134.086 4.955 . . . . 0.0 124.274 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.5 70.54 Favored 'General case' 0 CA--C 1.57 1.73 0 CA-C-N 122.446 2.384 . . . . 0.0 111.72 -163.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.337 10.7 m80 -73.18 -26.98 61.39 Favored 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 174.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -50.47 68.27 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 116.607 -3.808 . . . . 0.0 105.294 167.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.847 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.17 -52.36 65.89 Favored 'General case' 0 CA--C 1.608 3.174 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.202 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.551 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.687 10.6 tpp85 -69.29 -28.11 65.99 Favored 'General case' 1 C--N 1.464 5.55 1 CA-C-N 135.98 8.536 . . . . 0.0 108.995 179.408 . . . . . . . . 5 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 27.1 mtpt -51.32 -51.51 53.72 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 121.336 3.828 . . . . 0.0 121.336 164.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.485 0.0 OUTLIER -69.9 -54.23 14.37 Favored 'General case' 0 N--CA 1.502 2.16 1 N-CA-C 126.197 5.628 . . . . 0.0 126.197 -139.86 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.747 ' H ' HD23 ' A' ' 37' ' ' LEU . 29.9 ttp -78.85 -49.82 12.28 Favored 'General case' 0 C--N 1.35 0.625 1 C-N-CA 133.514 4.726 . . . . 0.0 112.81 144.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HG3' ' HD3' ' A' ' 35' ' ' ARG 0.962 9.3 pt-20 -68.57 -33.44 74.09 Favored 'General case' 0 CA--C 1.569 1.678 0 CA-C-O 115.471 -2.204 . . . . 0.0 113.739 -159.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.0 mt -77.81 -50.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.408 3.113 0 CA-C-N 125.306 3.685 . . . . 0.0 111.567 155.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.339 35.4 mt -65.7 -9.91 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.308 0 CA-C-O 122.679 1.228 . . . . 0.0 113.345 -159.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.926 0 O-C-N 119.934 -1.729 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.224 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -37.41 -34.4 0.09 Allowed 'General case' 0 C--N 1.355 0.837 2 C-N-CA 134.1 4.96 . . . . 0.0 124.31 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.62 -46.51 70.47 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-N 122.369 2.35 . . . . 0.0 111.807 -163.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.536 ' O ' ' HG3' ' A' ' 36' ' ' LYS 0.344 11.3 m80 -73.11 -27.01 61.45 Favored 'General case' 0 N--CA 1.511 2.588 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 173.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -50.39 68.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 116.549 -3.845 . . . . 0.0 105.416 167.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.851 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.22 -52.34 65.98 Favored 'General case' 0 CA--C 1.608 3.197 2 N-CA-C 139.558 10.577 . . . . 0.0 139.558 156.073 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HD3' ' HG3' ' A' ' 39' ' ' GLU 0.683 10.7 tpp85 -69.29 -28.27 66.14 Favored 'General case' 1 C--N 1.466 5.631 1 CA-C-N 135.981 8.537 . . . . 0.0 108.876 179.494 . . . . . . . . 5 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 32' ' ' HIS 0.39 15.8 mtpt -51.3 -51.46 54.1 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 121.426 3.862 . . . . 0.0 121.426 164.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.851 HD13 ' HA ' ' A' ' 34' ' ' ASN 0.494 0.0 OUTLIER -69.89 -54.31 14.01 Favored 'General case' 0 N--CA 1.502 2.132 1 N-CA-C 126.414 5.709 . . . . 0.0 126.414 -139.729 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.719 ' H ' HD23 ' A' ' 37' ' ' LEU . 12.7 tmm? -79.09 -49.28 12.87 Favored 'General case' 0 N--CA 1.447 -0.588 1 C-N-CA 133.702 4.801 . . . . 0.0 113.216 143.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.59 ' H ' HD23 ' A' ' 37' ' ' LEU 0.967 9.6 pt-20 -67.03 -34.13 77.04 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 115.319 -2.277 . . . . 0.0 113.799 -161.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 35' ' ' ARG . 90.8 mt -77.95 -50.66 19.33 Favored 'Isoleucine or valine' 0 C--N 1.408 3.14 0 CA-C-N 125.417 3.735 . . . . 0.0 111.651 155.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.34 36.9 mt -65.61 -9.72 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.295 0 CA-C-O 122.637 1.208 . . . . 0.0 113.303 -159.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.903 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.32 . . -56.6 -32.14 64.96 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.27 -33.17 65.22 Favored 'General case' 0 CA--C 1.587 2.385 0 CA-C-N 120.295 1.407 . . . . 0.0 112.659 168.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -72.83 -31.83 65.06 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 123.417 4.599 . . . . 0.0 123.417 162.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -70.91 -41.22 71.52 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 130.345 3.458 . . . . 0.0 110.254 164.169 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.845 HD22 HD12 ' A' ' 37' ' ' LEU 0.666 20.4 m120 -62.67 -29.56 70.73 Favored 'General case' 0 CA--C 1.603 2.992 2 N-CA-C 145.87 12.915 . . . . 0.0 145.87 139.27 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.02 1.9 tpp85 -71.24 -25.87 62.66 Favored 'General case' 1 C--N 1.43 4.066 2 CA-C-N 135.643 8.383 . . . . 0.0 116.636 147.171 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -52.5 -51.39 59.71 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 113.759 -3.176 . . . . 0.0 117.844 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD12 HD22 ' A' ' 34' ' ' ASN 0.337 0.0 OUTLIER -72.59 -53.84 10.79 Favored 'General case' 0 N--CA 1.5 2.05 1 N-CA-C 128.65 6.537 . . . . 0.0 128.65 -119.607 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.784 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.3 tmm? -78.44 -50.12 12.24 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 131.521 3.928 . . . . 0.0 112.088 137.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.717 0.3 OUTLIER -62.44 -44.52 96.22 Favored 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 128.969 2.907 . . . . 0.0 113.538 -156.422 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mt -76.02 -46.46 34.4 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-N 123.458 2.844 . . . . 0.0 113.359 161.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.9 -27.94 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.162 0 CA-C-N 120.507 1.503 . . . . 0.0 109.512 -172.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.621 0 O-C-N 121.18 -0.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' HE3' ' A' ' 33' ' ' LYS 0.453 . . -57.17 -32.46 66.45 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.304 . . -58.49 -30.8 67.3 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 121.741 2.064 . . . . 0.0 115.915 176.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.367 68.4 m-70 -74.95 -48.88 22.17 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 156.291 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 30' ' ' GLU 0.44 0.0 OUTLIER -66.02 -36.28 82.84 Favored 'General case' 0 N--CA 1.518 2.965 0 CA-C-N 123.388 2.813 . . . . 0.0 116.342 175.646 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.32 -51.79 48.16 Favored 'General case' 0 CA--C 1.587 2.388 2 N-CA-C 135.741 9.163 . . . . 0.0 135.741 134.703 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' O ' HG13 ' A' ' 40' ' ' ILE 0.913 0.1 OUTLIER -57.04 -29.5 63.44 Favored 'General case' 1 C--N 1.448 4.851 2 CA-C-N 137.715 9.325 . . . . 0.0 113.483 -176.104 . . . . . . . . 6 4 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 12.4 ptmt -52.52 -51.35 59.98 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.068 HD23 ' H ' ' A' ' 38' ' ' MET 0.298 0.0 OUTLIER -74.02 -53.11 10.73 Favored 'General case' 0 CA--C 1.569 1.711 1 N-CA-C 123.004 4.446 . . . . 0.0 123.004 -134.019 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 1.068 ' H ' HD23 ' A' ' 37' ' ' LEU . 31.3 ttm -78.55 -52.07 9.02 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 130.121 3.368 . . . . 0.0 117.071 161.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.515 0.0 OUTLIER -74.82 -45.25 44.58 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 129.313 3.045 . . . . 0.0 111.85 -172.471 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 35' ' ' ARG 0.261 2.9 mt -76.34 -49.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.406 3.04 0 CA-C-N 125.654 3.843 . . . . 0.0 113.676 -177.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.35 17.75 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.603 3.014 0 C-N-CA 127.148 2.179 . . . . 0.0 108.216 150.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.283 0 O-C-N 120.377 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 34' ' ' ASN . . . -50.04 -48.29 52.88 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 118.3 2.704 . . . . 0.0 118.3 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.97 64.04 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -120.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -68.81 -46.78 67.74 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 121.744 2.066 . . . . 0.0 116.11 170.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -32.2 71.54 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 122.815 2.552 . . . . 0.0 115.582 170.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.605 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -70.31 -53.37 17.04 Favored 'General case' 0 CA--C 1.581 2.168 2 N-CA-C 135.28 8.992 . . . . 0.0 135.28 131.477 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 35' ' ' ARG 0.516 0.0 OUTLIER -62.1 -25.74 67.89 Favored 'General case' 0 C--N 1.416 3.474 2 CA-C-N 139.005 9.912 . . . . 0.0 114.622 -167.606 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HB ' ' A' ' 40' ' ' ILE 0.268 7.0 ptmt -50.65 -45.11 57.72 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 163.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.782 ' CD1' ' H ' ' A' ' 38' ' ' MET 0.403 0.3 OUTLIER -71.04 -53.09 15.94 Favored 'General case' 0 CA--C 1.561 1.37 1 N-CA-C 130.663 7.283 . . . . 0.0 130.663 -142.761 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.782 ' H ' ' CD1' ' A' ' 37' ' ' LEU . 36.2 mmm -79.7 -52.46 7.92 Favored 'General case' 0 C--N 1.345 0.372 2 CA-C-N 127.725 4.784 . . . . 0.0 119.152 141.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.525 0.0 OUTLIER -74.52 -36.29 63.19 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.785 2.034 . . . . 0.0 112.808 -160.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 36' ' ' LYS 0.285 7.0 mt -76.03 -32.1 22.73 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-N 122.61 2.459 . . . . 0.0 116.114 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -56.11 -26.3 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.429 0 CA-C-N 120.18 1.355 . . . . 0.0 113.707 -144.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.91 0 O-C-N 120.31 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 33' ' ' LYS 0.319 . . -56.41 -32.02 64.43 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.92 65.57 Favored 'General case' 0 CA--C 1.584 2.281 0 CA-C-N 120.334 1.425 . . . . 0.0 112.741 168.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -72.48 -33.71 67.18 Favored 'General case' 0 N--CA 1.524 3.241 1 N-CA-C 122.728 4.344 . . . . 0.0 122.728 162.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -69.45 -41.83 75.72 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 130.047 3.339 . . . . 0.0 110.261 165.103 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.886 HD22 HD12 ' A' ' 37' ' ' LEU 0.716 19.5 m120 -60.77 -29.48 69.44 Favored 'General case' 0 CA--C 1.601 2.912 2 N-CA-C 146.032 12.975 . . . . 0.0 146.032 138.76 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 1.051 1.5 tpp85 -71.51 -25.85 62.42 Favored 'General case' 0 C--N 1.428 3.986 2 CA-C-N 135.348 8.249 . . . . 0.0 117.079 145.617 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -52.48 -51.34 59.9 Favored 'General case' 0 CA--C 1.593 2.597 0 C-N-CA 113.374 -3.33 . . . . 0.0 117.841 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.886 HD12 HD22 ' A' ' 34' ' ' ASN 0.338 0.0 OUTLIER -72.07 -53.71 12.03 Favored 'General case' 0 N--CA 1.501 2.106 1 N-CA-C 129.184 6.735 . . . . 0.0 129.184 -119.732 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.772 ' H ' HD23 ' A' ' 37' ' ' LEU . 13.6 tmm? -78.46 -50.2 12.08 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 125.934 3.97 . . . . 0.0 112.239 136.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 37' ' ' LEU 0.713 0.3 OUTLIER -61.55 -44.67 96.62 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 129.313 3.045 . . . . 0.0 113.699 -157.167 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.12 -46.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.391 2.413 0 CA-C-N 123.577 2.899 . . . . 0.0 113.336 161.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.94 -27.22 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.124 0 CA-C-N 120.676 1.58 . . . . 0.0 109.509 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.666 0 O-C-N 121.185 -0.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . 0.416 ' H1 ' ' H ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--O 1.226 -0.18 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.616 . . 73.67 -41.29 0.49 Allowed 'General case' 0 C--N 1.355 0.841 2 C-N-CA 132.595 4.358 . . . . 0.0 122.35 . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' H ' ' H1 ' ' A' ' 29' ' ' ACE . . . -59.32 -41.4 88.99 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 -165.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 36' ' ' LYS 0.286 80.7 m-70 -74.09 -49.76 22.53 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 115.293 -2.289 . . . . 0.0 116.39 163.066 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.266 2.8 ptmm? -63.48 -36.4 83.64 Favored 'General case' 0 N--CA 1.509 2.524 0 CA-C-N 124.587 3.358 . . . . 0.0 112.66 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.511 HD22 ' C ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -66.63 -53.09 37.81 Favored 'General case' 0 CA--C 1.596 2.714 2 N-CA-C 132.985 8.143 . . . . 0.0 132.985 139.392 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.528 0.4 OUTLIER -60.02 -25.52 65.36 Favored 'General case' 0 C--N 1.426 3.92 2 CA-C-N 139.496 10.135 . . . . 0.0 113.317 -174.843 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -51.57 -50.26 60.45 Favored 'General case' 0 CA--C 1.596 2.734 0 C-N-CA 113.129 -3.428 . . . . 0.0 116.445 163.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.767 ' CD2' ' H ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -59.68 -52.78 64.02 Favored 'General case' 0 CA--C 1.563 1.466 1 N-CA-C 126.174 5.62 . . . . 0.0 126.174 -121.724 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.767 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 58.0 mtm -79.38 -50.45 10.81 Favored 'General case' 0 C--N 1.353 0.745 1 C-N-CA 131.962 4.105 . . . . 0.0 118.372 140.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.63 1.0 OUTLIER -68.76 -38.15 79.86 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.921 1.688 . . . . 0.0 113.549 -155.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 6.8 mm -75.69 -37.8 36.73 Favored 'Isoleucine or valine' 0 C--N 1.385 2.126 0 CA-C-N 120.747 1.612 . . . . 0.0 113.984 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mm -56.33 -24.67 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.154 0 O-C-N 119.363 -2.085 . . . . 0.0 114.359 -104.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.685 0 O-C-N 120.775 -1.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . . . 57.58 -31.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 120.611 3.56 . . . . 0.0 120.611 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -31.59 60.79 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.282 1.856 . . . . 0.0 114.566 -165.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.709 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.5 m-70 -75.13 -51.78 12.61 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 112.726 -3.511 . . . . 0.0 116.258 155.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 30' ' ' GLU 0.693 0.0 OUTLIER -60.08 -40.71 90.47 Favored 'General case' 0 N--CA 1.529 3.505 1 CA-C-N 128.62 5.191 . . . . 0.0 114.568 -178.106 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.514 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.09 -52.76 62.6 Favored 'General case' 0 CA--C 1.584 2.272 2 N-CA-C 134.235 8.606 . . . . 0.0 134.235 141.968 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.773 0.0 OUTLIER -63.56 -28.67 70.1 Favored 'General case' 1 C--N 1.432 4.166 2 CA-C-N 137.671 9.305 . . . . 0.0 112.543 -171.72 . . . . . . . . 5 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 3.2 ptmt -53.26 -50.98 63.7 Favored 'General case' 0 CA--C 1.582 2.211 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 167.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.998 HD23 ' H ' ' A' ' 38' ' ' MET 0.275 0.0 OUTLIER -63.37 -53.41 52.9 Favored 'General case' 0 N--CA 1.506 2.329 1 N-CA-C 125.063 5.209 . . . . 0.0 125.063 -119.664 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.998 ' H ' HD23 ' A' ' 37' ' ' LEU . 9.7 tpp -78.39 -50.21 12.14 Favored 'General case' 0 C--N 1.366 1.301 0 CA-C-N 125.126 3.603 . . . . 0.0 116.85 153.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.797 0.6 OUTLIER -73.36 -44.47 58.62 Favored 'General case' 0 CA--C 1.572 1.819 0 C-N-CA 127.088 2.155 . . . . 0.0 116.1 -161.512 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 36' ' ' LYS . 15.4 mm -76.13 -47.22 32.07 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 CA-C-N 122.212 2.278 . . . . 0.0 114.158 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.296 91.9 mt -59.36 -22.13 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.828 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -151.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.828 0 O-C-N 120.04 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_