data_1kcp_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 1kcp _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.508 2.465 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -90.2 146.33 24.34 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 109.839 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 pt . . . . . 0 C--N 1.361 1.102 0 C-N-CA 126.393 1.877 . . . . 0.0 115.592 -177.144 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.318 66.9 m-20 . . . . . 0 CA--C 1.525 0.016 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -93.39 158.59 15.65 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 124.698 1.199 . . . . 0.0 109.691 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 134.39 55.4 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 130.067 3.347 . . . . 0.0 118.728 -174.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -157.11 169.35 24.99 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 122.485 1.136 . . . . 0.0 112.738 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -113.06 126.55 55.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 129.224 3.01 . . . . 0.0 104.774 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' H ' ' CD ' ' A' ' 10' ' ' GLN 0.262 11.2 mp0 -59.3 -17.63 30.74 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -175.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.87 -2.55 34.04 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.999 1.719 . . . . 0.0 113.966 170.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tp -115.0 100.52 8.25 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.967 1.307 . . . . 0.0 108.164 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -71.25 -3.68 21.67 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -80.04 46.96 0.84 Allowed 'General case' 0 C--N 1.358 0.954 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.0 m -98.19 127.39 44.1 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 102.826 -3.027 . . . . 0.0 102.826 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.2 m -52.31 -22.83 4.91 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -176.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.6 p -97.03 -7.4 33.0 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 130.371 3.468 . . . . 0.0 113.938 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 103.79 -42.14 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.121 3.368 . . . . 0.0 114.719 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -120.98 136.87 54.88 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -167.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -95.7 149.24 21.7 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -117.5 -178.05 3.38 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.225 -1.547 . . . . 0.0 111.522 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -16.69 62.69 Favored 'General case' 0 C--N 1.369 1.426 0 N-CA-C 119.267 3.062 . . . . 0.0 119.267 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.48 6.41 37.87 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.461 0.1 OUTLIER 80.87 15.35 0.64 Allowed 'General case' 0 C--N 1.376 1.731 0 C-N-CA 131.697 3.999 . . . . 0.0 114.06 -179.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -114.97 149.15 37.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.552 -1.343 . . . . 0.0 111.555 -169.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.36 128.76 34.77 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.114 2.566 . . . . 0.0 107.22 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.573 1.85 0 CA-C-O 127.463 3.506 . . . . 0.0 114.087 -179.203 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.506 2.353 0 CA-C-O 121.468 0.652 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -100.53 137.56 38.78 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.074 1.75 . . . . 0.0 107.917 168.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.431 HD12 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.356 0.887 0 C-N-CA 126.873 2.069 . . . . 0.0 111.301 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.79 152.2 40.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -100.16 124.2 45.29 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -170.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -128.53 158.08 39.41 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 128.892 2.877 . . . . 0.0 113.194 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -83.93 152.62 24.4 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.846 2.458 . . . . 0.0 108.784 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.21 -30.6 70.57 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -96.24 39.93 1.14 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.496 2.318 . . . . 0.0 112.311 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -125.63 124.25 40.78 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 127.274 2.23 . . . . 0.0 109.185 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -81.25 -23.54 37.93 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 125.841 1.657 . . . . 0.0 114.941 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -79.86 55.16 2.01 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.65 132.18 53.59 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 167.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.282 0.6 OUTLIER -66.17 -7.17 16.39 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 118.017 2.599 . . . . 0.0 118.017 -176.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.6 p -102.94 -14.97 16.3 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 129.176 2.991 . . . . 0.0 112.794 173.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.33 15.4 tpt85 111.88 -58.47 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 1 C-N-CA 131.872 4.069 . . . . 0.0 110.269 -177.013 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -116.65 152.84 33.41 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.335 1.454 . . . . 0.0 114.482 -170.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -85.76 170.63 12.27 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 130.837 3.655 . . . . 0.0 112.328 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -138.58 -169.17 2.55 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.396 -1.44 . . . . 0.0 111.733 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.43 36.92 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 129.46 3.104 . . . . 0.0 118.941 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -84.01 3.85 32.58 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.014 2.526 . . . . 0.0 114.259 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m120 75.08 9.12 3.96 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.273 3.029 . . . . 0.0 112.196 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -92.03 151.71 20.33 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.434 1.494 . . . . 0.0 112.337 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.43 94.83 3.72 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 128.602 2.761 . . . . 0.0 110.599 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.356 0.89 0 C-N-CA 124.701 1.201 . . . . 0.0 113.02 -171.71 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -79.06 149.38 32.15 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 128.171 2.589 . . . . 0.0 114.919 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.633 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.185 0 N-CA-C 116.417 2.006 . . . . 0.0 116.417 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.339 80.8 m-20 . . . . . 0 N--CA 1.46 0.044 0 CA-C-O 123.177 1.465 . . . . 0.0 111.499 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -108.53 168.35 9.39 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -93.06 137.66 32.21 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -165.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.26 -152.91 0.53 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.754 1.622 . . . . 0.0 111.296 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -151.88 141.85 22.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.75 -10.45 8.88 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 118.902 2.927 . . . . 0.0 118.902 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.67 -2.23 28.64 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.803 2.041 . . . . 0.0 114.713 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.07 159.89 23.07 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 122.079 2.218 . . . . 0.0 110.934 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -148.53 54.21 1.01 Allowed 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.396 -1.44 . . . . 0.0 110.305 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.49 47.21 1.02 Allowed 'General case' 0 C--N 1.373 1.592 0 O-C-N 119.246 -2.159 . . . . 0.0 108.768 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.6 m -116.16 141.51 48.05 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 129.126 2.97 . . . . 0.0 107.068 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.57 -18.12 64.89 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 128.393 2.677 . . . . 0.0 115.586 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -94.22 -30.73 14.43 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 127.044 2.138 . . . . 0.0 110.716 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 3.5 mpt_? 74.09 34.18 0.88 Allowed 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.733 2.413 . . . . 0.0 114.634 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -149.01 123.51 9.72 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.596 1.158 . . . . 0.0 108.553 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.88 150.15 22.2 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.852 2.061 . . . . 0.0 110.913 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.269 9.0 p30 -102.18 -178.54 3.73 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 120.734 -1.229 . . . . 0.0 108.74 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -10.18 56.92 Favored 'General case' 0 C--N 1.37 1.492 0 CA-C-N 121.569 1.986 . . . . 0.0 115.325 -172.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.53 -20.49 47.03 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.604 2.762 . . . . 0.0 113.378 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 94.57 48.36 0.0 OUTLIER 'General case' 0 C--N 1.369 1.423 0 C-N-CA 130.064 3.345 . . . . 0.0 109.615 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -140.51 142.52 35.23 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 127.164 2.186 . . . . 0.0 109.794 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.8 m -91.45 121.53 33.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.17 2.188 . . . . 0.0 109.096 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.221 -0.443 0 C-N-CA 124.448 1.099 . . . . 0.0 110.499 -173.414 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.512 2.665 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.23 147.69 22.68 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 125.796 1.638 . . . . 0.0 112.568 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt . . . . . 0 C--N 1.359 0.993 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -173.486 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.291 19.8 m-20 . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.17 153.96 23.02 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -70.28 124.54 24.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 119.537 3.162 . . . . 0.0 119.537 -173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.86 -148.34 0.42 Allowed 'General case' 0 C--N 1.371 1.525 0 C-N-CA 128.518 2.727 . . . . 0.0 108.58 175.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -163.0 158.25 21.95 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -66.8 -23.42 66.05 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -93.38 0.61 56.93 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 126.272 1.829 . . . . 0.0 113.328 173.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -126.42 62.11 1.29 Allowed 'General case' 0 C--N 1.362 1.119 0 CA-C-O 123.877 1.798 . . . . 0.0 106.768 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.05 8.16 0.45 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.594 3.158 . . . . 0.0 118.743 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -80.67 59.86 3.77 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.388 1.875 . . . . 0.0 113.435 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.81 133.7 46.14 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 129.233 3.013 . . . . 0.0 103.452 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -60.15 -20.96 60.89 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 127.573 2.349 . . . . 0.0 117.112 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -95.61 -11.2 27.65 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 129.908 3.283 . . . . 0.0 111.47 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.329 51.0 mtt85 69.71 34.68 2.61 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 129.452 3.101 . . . . 0.0 115.525 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -148.83 143.14 26.11 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 124.352 1.061 . . . . 0.0 109.804 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.6 m -117.26 154.97 30.28 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.038 2.535 . . . . 0.0 106.714 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.267 21.8 t-20 -95.1 -161.6 0.87 Allowed 'General case' 0 C--N 1.347 0.493 0 C-N-CA 128.523 2.729 . . . . 0.0 111.122 -172.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -31.13 11.86 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.447 2.299 . . . . 0.0 112.261 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -83.58 -7.07 59.59 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 129.074 2.95 . . . . 0.0 114.4 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.288 71.4 m-80 79.33 61.37 0.02 OUTLIER 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.179 2.992 . . . . 0.0 112.067 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -131.91 146.26 52.0 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 130.248 3.419 . . . . 0.0 106.761 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 m -77.88 123.16 26.42 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 127.795 2.438 . . . . 0.0 108.741 170.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.549 0.936 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.763 -174.427 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.409 HH22 ' HB3' ' A' ' 12' ' ' LEU . 71.4 mtm180 -110.02 138.91 45.73 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.516 1.526 . . . . 0.0 111.266 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 pt . . . . . 0 C--N 1.355 0.843 0 C-N-CA 127.055 2.142 . . . . 0.0 112.655 -176.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 121.046 0.45 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -94.35 141.67 28.3 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.638 1.175 . . . . 0.0 108.824 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -83.39 135.83 34.56 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 119.601 3.186 . . . . 0.0 119.601 -166.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.59 170.39 22.49 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.251 1.82 . . . . 0.0 113.721 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -107.41 158.38 17.22 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.728 3.211 . . . . 0.0 106.485 165.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.253 16.8 mp0 -69.46 -17.81 63.66 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 118.882 -2.386 . . . . 0.0 116.597 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -83.77 8.49 14.53 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 125.5 1.52 . . . . 0.0 113.565 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.409 ' HB3' HH22 ' A' ' 2' ' ' ARG . 1.0 OUTLIER -124.28 116.63 22.96 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -91.37 5.79 47.91 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.834 1.254 . . . . 0.0 113.253 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.8 40.68 0.82 Allowed 'General case' 0 C--N 1.364 1.226 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -174.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.7 m -95.96 129.06 43.33 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.641 2.776 . . . . 0.0 106.933 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 0.85 28.36 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.229 -1.545 . . . . 0.0 114.547 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 p -113.75 9.85 17.77 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 131.164 3.786 . . . . 0.0 111.06 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.263 6.1 tpm_? 89.87 -45.81 0.02 OUTLIER 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.442 2.697 . . . . 0.0 114.093 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -139.09 160.02 40.78 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 120.514 -1.366 . . . . 0.0 113.91 -172.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -102.01 147.53 26.46 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.999 2.52 . . . . 0.0 110.713 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -117.36 166.25 12.53 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.101 -1.625 . . . . 0.0 113.196 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.0 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.364 1.231 0 C-N-CA 131.604 3.962 . . . . 0.0 121.039 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.9 -10.1 59.74 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.195 1.798 . . . . 0.0 114.935 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 98.07 25.58 0.01 OUTLIER 'General case' 0 C--N 1.377 1.795 0 C-N-CA 128.405 2.682 . . . . 0.0 110.502 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -123.05 139.29 54.23 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 m -68.64 123.35 20.65 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 128.82 2.848 . . . . 0.0 107.564 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t . . . . . 0 CA--C 1.558 1.258 0 CA-C-O 126.604 3.097 . . . . 0.0 113.636 -172.492 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.509 2.514 0 CA-C-O 119.879 -0.105 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -148.62 149.88 32.29 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 102.23 -3.248 . . . . 0.0 102.23 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.0 pt . . . . . 0 C--N 1.363 1.182 0 C-N-CA 125.337 1.455 . . . . 0.0 113.406 -177.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.478 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -115.52 151.21 35.27 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.453 1.501 . . . . 0.0 107.827 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.05 138.57 54.52 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.5 m -100.13 178.57 4.74 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.402 2.681 . . . . 0.0 111.163 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -119.56 104.64 10.47 Favored 'General case' 0 C--N 1.353 0.752 1 N-CA-C 97.841 -4.874 . . . . 0.0 97.841 164.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.339 21.2 mt-30 -50.03 -17.02 0.34 Allowed 'General case' 0 C--N 1.373 1.624 0 N-CA-C 121.607 3.929 . . . . 0.0 121.607 -166.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -83.08 -7.71 59.61 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.124 1.77 . . . . 0.0 114.008 170.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -104.32 137.35 42.35 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 119.977 -1.702 . . . . 0.0 111.005 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -107.21 25.32 11.54 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.371 -2.706 . . . . 0.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.08 48.72 1.15 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.628 2.371 . . . . 0.0 116.098 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.3 m -105.7 139.5 40.19 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -16.15 63.52 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -95.65 -6.49 39.94 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 129.754 3.222 . . . . 0.0 113.653 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 26.2 mmm180 76.01 26.49 1.0 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 128.027 2.531 . . . . 0.0 115.626 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -157.55 135.42 10.77 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 119.725 -1.86 . . . . 0.0 111.526 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -102.87 142.03 34.68 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 128.284 2.634 . . . . 0.0 104.045 167.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -85.71 -172.5 4.14 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 123.658 1.694 . . . . 0.0 111.53 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -36.53 73.15 Favored 'General case' 0 C--N 1.349 0.543 0 C-N-CA 127.589 2.356 . . . . 0.0 114.237 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -84.57 -21.35 30.45 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.875 2.07 . . . . 0.0 115.105 -172.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.374 0.0 OUTLIER 121.04 14.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.169 0 C-N-CA 131.564 3.946 . . . . 0.0 111.681 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -106.56 139.64 40.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.703 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.06 118.94 11.2 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.141 2.177 . . . . 0.0 111.425 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.535 -174.22 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.2 mmt-85 -89.73 162.49 15.53 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-O 123.634 1.683 . . . . 0.0 113.032 171.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 pt . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 128.233 2.613 . . . . 0.0 109.238 176.628 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.281 61.1 m-80 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.277 0.0 OUTLIER -99.44 139.67 34.75 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.161 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 20.5 mmtp -76.38 136.45 39.5 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 130.282 3.433 . . . . 0.0 115.715 -163.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.1 p -124.06 -139.98 0.3 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.972 2.509 . . . . 0.0 110.74 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -161.24 152.16 18.38 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 131.613 3.965 . . . . 0.0 102.535 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -71.29 -18.51 62.41 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -97.9 3.83 49.66 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.349 1.46 . . . . 0.0 114.256 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.63 121.17 39.52 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 119.804 -1.81 . . . . 0.0 112.944 -171.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -75.04 62.68 1.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.522 2.329 . . . . 0.0 112.659 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.11 41.78 1.79 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.751 1.62 . . . . 0.0 113.481 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.2 m -114.97 124.83 52.67 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.64 -3.91 37.16 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.922 -1.111 . . . . 0.0 113.929 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 p -105.03 -7.67 19.04 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 129.434 3.094 . . . . 0.0 111.261 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 1.0 OUTLIER 101.27 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.362 1.122 0 C-N-CA 129.544 3.138 . . . . 0.0 113.856 -178.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.11 162.44 34.19 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 119.337 -2.102 . . . . 0.0 115.497 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -98.25 164.77 12.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 129.647 3.179 . . . . 0.0 109.445 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.815 HD22 ' HZ3' ' A' ' 25' ' ' LYS . 41.6 p30 -103.8 -148.2 0.39 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.486 1.514 . . . . 0.0 112.255 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -15.8 25.48 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -100.32 8.67 43.54 Favored 'General case' 0 C--N 1.373 1.618 0 O-C-N 120.451 -1.406 . . . . 0.0 111.266 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 75.76 38.11 0.38 Allowed 'General case' 0 C--N 1.361 1.095 0 C-N-CA 129.929 3.292 . . . . 0.0 113.124 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.815 ' HZ3' HD22 ' A' ' 21' ' ' ASN . 0.9 OUTLIER -122.5 153.7 38.83 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.841 -1.162 . . . . 0.0 108.154 -178.406 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 2' ' ' ARG . 75.3 m -76.23 118.98 19.52 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 126.294 1.837 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 124.548 1.139 . . . . 0.0 109.052 -178.211 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 120.717 0.294 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -110.31 139.11 45.83 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 127.131 2.173 . . . . 0.0 107.88 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--N 1.353 0.759 0 C-N-CA 126.799 2.039 . . . . 0.0 107.284 175.064 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HA ' ' HZ1' ' A' ' 7' ' ' LYS . 3.5 mm-40 -117.28 140.8 49.09 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 102.896 -3.001 . . . . 0.0 102.896 176.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HZ1' ' HA ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -79.53 136.58 36.92 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.145 2.178 . . . . 0.0 114.447 -168.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.66 -163.43 1.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.892 1.677 . . . . 0.0 113.648 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.45 138.47 39.81 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 128.512 2.725 . . . . 0.0 104.093 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -59.38 -23.98 63.03 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.572 2.349 . . . . 0.0 116.583 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -102.01 7.87 41.15 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 126.855 2.062 . . . . 0.0 114.531 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -114.6 122.25 45.91 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 121.658 2.026 . . . . 0.0 114.005 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.39 67.05 0.7 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.301 2.64 . . . . 0.0 114.82 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -140.76 16.6 2.33 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 120.823 -1.173 . . . . 0.0 112.67 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.0 m -97.69 131.82 43.89 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 119.925 -1.734 . . . . 0.0 109.797 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.44 1.25 34.0 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.973 1.709 . . . . 0.0 114.685 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 p -110.46 1.55 18.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 129.555 3.142 . . . . 0.0 109.59 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.32 28.4 mmm180 91.31 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.146 2.579 . . . . 0.0 115.078 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -141.52 172.86 12.1 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.845 1.657 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.3 m -103.89 172.82 6.59 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.221 3.408 . . . . 0.0 110.472 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -133.8 179.96 5.91 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.325 1.45 . . . . 0.0 109.019 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -73.81 -3.84 31.08 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 -175.68 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -87.41 -8.62 56.33 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.83 2.452 . . . . 0.0 111.01 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.447 77.5 m-20 75.27 23.99 1.48 Allowed 'General case' 0 C--N 1.369 1.433 0 C-N-CA 131.431 3.892 . . . . 0.0 114.151 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -104.79 162.29 13.44 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 129.904 3.281 . . . . 0.0 107.93 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.5 m -69.85 149.89 47.39 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 129.009 2.924 . . . . 0.0 110.565 169.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 C--N 1.36 1.05 0 CA-C-O 126.244 2.926 . . . . 0.0 114.097 -175.17 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 121.552 0.691 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.6 ttp-105 -97.86 155.5 17.03 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.726 2.81 . . . . 0.0 109.711 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt . . . . . 0 C--N 1.353 0.734 0 O-C-N 120.435 -1.416 . . . . 0.0 113.419 -173.504 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.506 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.309 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -78.67 153.32 31.09 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 123.002 1.382 . . . . 0.0 111.837 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -76.87 137.24 39.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.28 2.232 . . . . 0.0 116.879 -173.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.0 171.93 15.58 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 124.266 1.984 . . . . 0.0 115.286 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -105.72 131.58 52.91 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 129.614 3.165 . . . . 0.0 107.974 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.257 18.9 mp0 -49.95 -29.74 9.0 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -87.09 4.68 41.17 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.961 1.304 . . . . 0.0 114.122 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.82 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.937 0 O-C-N 119.879 -1.763 . . . . 0.0 108.609 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.6 63.18 3.34 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 118.701 -2.499 . . . . 0.0 116.535 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -95.44 39.54 1.12 Allowed 'General case' 0 C--N 1.366 1.319 0 O-C-N 120.207 -1.558 . . . . 0.0 110.587 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.58 141.99 27.88 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 127.256 2.222 . . . . 0.0 106.218 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.295 0.5 OUTLIER -68.06 -8.78 40.73 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 176.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 p -98.2 -12.6 21.51 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 130.221 3.408 . . . . 0.0 111.563 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 66.9 mtt180 73.64 17.68 3.65 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 131.427 3.891 . . . . 0.0 118.966 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -151.56 144.07 24.21 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.489 2.404 . . . . 0.0 114.547 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.69 154.87 17.0 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.126 1.771 . . . . 0.0 109.195 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.293 38.1 t-20 -89.72 -164.11 1.11 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.737 3.215 . . . . 0.0 110.239 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.61 -28.8 12.68 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.194 -2.191 . . . . 0.0 110.544 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -80.99 8.22 8.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m120 81.02 32.98 0.12 Allowed 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.696 2.398 . . . . 0.0 113.977 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -124.37 148.06 47.78 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.363 1.865 . . . . 0.0 110.909 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.68 115.41 19.28 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.998 2.519 . . . . 0.0 105.969 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 CA--C 1.545 0.788 0 CA-C-O 121.772 0.796 . . . . 0.0 111.949 -173.504 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.511 2.599 0 CA-C-O 120.522 0.201 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.459 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -100.39 131.94 46.04 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.172 1.389 . . . . 0.0 110.005 172.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.626 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.437 -1.099 0 O-C-N 120.146 -1.596 . . . . 0.0 115.238 -172.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.274 74.6 m-20 . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 122.756 1.265 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -109.52 162.7 14.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 170.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -83.74 137.68 33.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.019 1.728 . . . . 0.0 113.097 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -125.42 -154.24 0.61 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.278 1.831 . . . . 0.0 109.345 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.68 149.17 28.13 Favored 'General case' 0 N--CA 1.438 -1.037 1 N-CA-C 100.017 -4.068 . . . . 0.0 100.017 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -87.45 -4.11 59.01 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 125.798 1.639 . . . . 0.0 114.044 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -110.94 116.3 30.98 Favored 'General case' 0 C--N 1.367 1.349 0 O-C-N 119.826 -1.796 . . . . 0.0 111.582 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -104.71 55.11 0.71 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 125.382 1.473 . . . . 0.0 109.926 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.47 38.8 3.57 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 125.357 1.463 . . . . 0.0 111.904 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.4 m -95.6 145.75 25.0 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 168.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -31.38 72.54 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.69 2.396 . . . . 0.0 117.056 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -99.96 -7.17 25.48 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.496 3.118 . . . . 0.0 112.171 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 73.73 36.83 0.72 Allowed 'General case' 0 C--N 1.362 1.139 0 N-CA-C 118.464 2.765 . . . . 0.0 118.464 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -154.07 129.86 10.11 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 118.429 -2.669 . . . . 0.0 113.922 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 m -105.83 142.86 34.84 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.167 2.187 . . . . 0.0 106.35 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.259 19.1 p30 -100.84 -149.67 0.38 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.044 -1.035 . . . . 0.0 111.796 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -34.36 33.88 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.981 1.712 . . . . 0.0 114.724 -176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -84.95 -7.35 59.19 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.649 1.58 . . . . 0.0 112.959 -173.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 81.67 24.49 0.24 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.953 3.301 . . . . 0.0 112.051 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -100.29 140.46 34.5 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.324 1.85 . . . . 0.0 107.356 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.28 144.53 28.04 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 111.985 178.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 126.733 2.013 . . . . 0.0 109.186 -175.029 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.503 2.21 0 CA-C-O 120.581 0.229 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.86 144.61 28.71 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.528 1.531 . . . . 0.0 109.32 170.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.464 ' H ' HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 C-N-CA 126.289 1.835 . . . . 0.0 113.335 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 122.081 0.944 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 150.31 29.54 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -72.81 123.85 24.2 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 125.401 1.481 . . . . 0.0 114.005 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 p -115.96 -144.26 0.38 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.03 2.132 . . . . 0.0 109.531 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -163.26 146.4 10.45 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 130.476 3.51 . . . . 0.0 103.68 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -66.46 -17.76 64.97 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -90.06 0.55 57.07 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 124.857 1.263 . . . . 0.0 113.456 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -110.64 94.97 5.27 Favored 'General case' 0 C--N 1.365 1.249 0 O-C-N 119.286 -2.134 . . . . 0.0 108.278 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.15 -2.33 58.55 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 120.37 -1.456 . . . . 0.0 113.771 -176.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.15 57.0 4.24 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 126.946 2.098 . . . . 0.0 113.513 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -100.9 143.46 31.02 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 172.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -86.91 1.94 50.93 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.552 1.141 . . . . 0.0 112.678 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -82.9 -53.48 5.82 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 130.35 3.46 . . . . 0.0 112.216 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.505 0.0 OUTLIER 136.17 -22.28 0.01 OUTLIER 'General case' 0 C--N 1.356 0.863 1 C-N-CA 132.056 4.142 . . . . 0.0 113.873 171.699 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.3 147.23 12.48 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.88 -1.137 . . . . 0.0 111.232 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -93.57 134.4 35.89 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 126.913 2.085 . . . . 0.0 109.64 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -99.48 176.16 5.6 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.88 -2.388 . . . . 0.0 115.475 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -30.48 -45.75 0.07 Allowed 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 131.588 3.955 . . . . 0.0 119.637 171.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -85.65 -5.47 59.26 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 127.277 2.231 . . . . 0.0 113.545 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 81.41 39.28 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.576 2.75 . . . . 0.0 110.445 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -120.69 139.91 52.37 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.332 1.853 . . . . 0.0 107.452 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.09 128.45 34.65 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 114.11 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.573 1.831 0 CA-C-O 125.004 2.335 . . . . 0.0 112.007 -174.76 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.88 172.43 12.81 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 131.231 3.813 . . . . 0.0 102.067 171.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt . . . . . 0 C--N 1.343 0.32 0 C-N-CA 127.125 2.17 . . . . 0.0 105.342 -173.161 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -99.53 148.59 24.11 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -82.22 137.63 34.85 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.69 1.596 . . . . 0.0 113.947 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.318 14.5 p -124.44 -144.73 0.33 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.125 1.37 . . . . 0.0 109.767 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -165.88 162.08 18.09 Favored 'General case' 0 N--CA 1.434 -1.259 2 N-CA-C 99.397 -4.297 . . . . 0.0 99.397 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -83.75 0.01 49.01 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -103.11 9.64 38.31 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.357 1.463 . . . . 0.0 113.007 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.93 116.69 32.08 Favored 'General case' 0 C--N 1.369 1.444 0 O-C-N 119.494 -2.004 . . . . 0.0 109.021 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -89.52 -19.72 24.69 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 124.565 1.146 . . . . 0.0 112.808 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.33 56.72 2.16 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 119.177 3.028 . . . . 0.0 119.177 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -98.63 139.35 34.48 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 167.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.259 1.1 m -68.48 -12.86 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 117.736 -3.102 . . . . 0.0 116.416 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -91.77 -12.76 32.95 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 129.22 3.008 . . . . 0.0 111.575 170.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 66.6 mmt-85 56.06 42.61 28.23 Favored 'General case' 0 C--N 1.371 1.517 1 C-N-CA 134.134 4.974 . . . . 0.0 115.01 179.367 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -143.67 94.11 2.56 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 124.793 1.237 . . . . 0.0 113.634 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -84.62 163.97 18.96 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 119.836 -1.79 . . . . 0.0 111.631 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -133.48 171.12 14.52 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 125.616 1.566 . . . . 0.0 108.747 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.35 11.23 10.65 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -92.26 -8.05 46.36 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.585 -1.322 . . . . 0.0 110.044 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.446 0.2 OUTLIER 87.95 24.84 0.04 OUTLIER 'General case' 0 C--N 1.369 1.436 0 C-N-CA 129.769 3.228 . . . . 0.0 112.668 -178.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.49 143.65 50.54 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 120.376 -1.453 . . . . 0.0 109.775 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -77.87 124.49 28.05 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.899 2.48 . . . . 0.0 110.027 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.9 t . . . . . 0 CA--C 1.564 1.486 0 C-N-CA 124.172 0.989 . . . . 0.0 110.125 178.534 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -102.14 134.08 45.96 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 123.328 1.537 . . . . 0.0 110.218 172.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 125.431 1.492 . . . . 0.0 112.163 -176.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.552 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -85.91 143.9 27.96 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-O 123.088 1.423 . . . . 0.0 107.965 167.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -81.6 145.71 30.48 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.485 2.714 . . . . 0.0 117.63 -167.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 p -151.2 -137.35 0.08 Allowed 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.006 1.722 . . . . 0.0 112.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.83 174.48 10.58 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 100.204 -3.998 . . . . 0.0 100.204 -171.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -75.18 -32.03 61.13 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-N 122.178 2.263 . . . . 0.0 115.949 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -99.64 24.06 8.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.844 1.658 . . . . 0.0 112.974 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.65 44.78 2.06 Favored 'General case' 0 C--N 1.362 1.112 0 CA-C-O 122.243 1.02 . . . . 0.0 110.795 -175.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -82.04 63.03 6.08 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 120.278 -1.514 . . . . 0.0 114.954 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -89.25 51.34 2.11 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.119 -1.613 . . . . 0.0 109.627 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.25 152.35 27.25 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 127.774 2.43 . . . . 0.0 114.084 -172.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.97 54.15 2.34 Favored 'General case' 0 C--N 1.344 0.367 1 C-N-CA 131.744 4.018 . . . . 0.0 109.681 -177.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 p -176.36 -49.54 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 130.634 3.574 . . . . 0.0 106.899 -172.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.26 1.5 tpp180 88.87 35.68 0.02 OUTLIER 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.378 2.271 . . . . 0.0 115.848 168.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -161.32 132.8 5.51 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.192 -0.942 . . . . 0.0 111.113 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.58 150.13 22.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 126.241 1.816 . . . . 0.0 112.341 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -99.2 -178.08 3.81 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 126.685 1.994 . . . . 0.0 111.624 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -20.74 63.03 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -83.13 -9.39 59.22 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 129.086 2.954 . . . . 0.0 110.839 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.327 65.7 m-80 78.4 40.78 0.12 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 130.82 3.648 . . . . 0.0 111.949 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -123.67 150.38 44.32 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.25 2.22 . . . . 0.0 107.791 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.32 140.12 36.28 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.568 1.637 0 C-N-CA 126.827 2.051 . . . . 0.0 112.091 179.861 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.506 2.354 0 CA-C-O 121.165 0.507 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -149.26 167.36 26.26 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt . . . . . 0 C--N 1.35 0.598 0 C-N-CA 124.759 1.224 . . . . 0.0 107.992 176.7 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.283 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.7 141.3 30.89 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.069 2.147 . . . . 0.0 106.768 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -72.54 130.05 39.73 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -160.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 p -132.91 171.96 13.24 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 129.062 2.945 . . . . 0.0 110.491 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -107.78 131.68 54.2 Favored 'General case' 0 N--CA 1.427 -1.591 1 C-N-CA 133.83 4.852 . . . . 0.0 103.577 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -56.06 -34.64 66.11 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 118.573 2.805 . . . . 0.0 118.573 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -105.66 54.21 0.7 Allowed 'General case' 0 C--N 1.347 0.481 0 C-N-CA 129.559 3.144 . . . . 0.0 109.917 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -160.49 140.47 11.24 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -101.67 27.79 6.12 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 121.929 2.15 . . . . 0.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.91 59.98 5.16 Favored 'General case' 0 C--N 1.365 1.241 0 O-C-N 118.685 -2.51 . . . . 0.0 114.96 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.9 m -129.62 138.17 51.09 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 127.816 2.446 . . . . 0.0 104.831 173.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -80.36 -3.41 49.49 Favored 'General case' 0 C--N 1.366 1.314 0 O-C-N 120.357 -1.465 . . . . 0.0 114.859 -176.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 p -95.01 -8.35 37.09 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 128.995 2.918 . . . . 0.0 110.255 171.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 91.14 -4.83 0.24 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 129.179 2.992 . . . . 0.0 114.447 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -158.08 154.98 28.43 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.254 -2.154 . . . . 0.0 113.854 -175.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.9 t -97.16 158.12 15.6 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.47 3.108 . . . . 0.0 110.144 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.258 4.6 p30 -114.46 171.24 7.75 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 124.592 1.157 . . . . 0.0 109.102 173.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -10.55 16.86 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 -172.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -97.27 7.43 46.58 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.032 1.333 . . . . 0.0 112.923 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 81.65 31.96 0.12 Allowed 'General case' 0 C--N 1.373 1.619 0 C-N-CA 128.603 2.761 . . . . 0.0 112.227 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -126.2 148.89 49.36 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.907 2.083 . . . . 0.0 110.751 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.26 127.67 33.68 Favored 'General case' 0 C--N 1.365 1.275 0 O-C-N 120.691 -1.255 . . . . 0.0 109.6 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.353 0.742 0 O-C-N 121.314 -0.866 . . . . 0.0 110.522 -172.693 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 120.645 0.259 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.89 142.44 27.46 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.288 1.035 . . . . 0.0 110.508 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 pt . . . . . 0 CA--C 1.55 0.979 0 C-N-CA 125.243 1.417 . . . . 0.0 113.255 -178.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 122.607 1.194 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.64 151.04 26.18 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 172.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -83.22 134.95 34.93 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.555 1.942 . . . . 0.0 113.726 -173.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.02 167.5 10.05 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 124.87 2.271 . . . . 0.0 113.337 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -113.84 119.8 38.54 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 100.508 -3.886 . . . . 0.0 100.508 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.305 46.6 mm-40 -59.32 -16.6 23.09 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 119.722 3.231 . . . . 0.0 119.722 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -80.97 -8.72 59.83 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.787 1.635 . . . . 0.0 113.147 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -94.06 91.86 7.05 Favored 'General case' 0 C--N 1.371 1.504 0 O-C-N 118.356 -2.715 . . . . 0.0 110.033 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -84.7 55.14 3.3 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 129.071 2.949 . . . . 0.0 112.02 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.251 13.3 p-10 -159.28 56.58 0.41 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 124.558 1.143 . . . . 0.0 112.809 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.6 m -93.6 138.17 32.12 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 167.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.317 0.8 OUTLIER -60.54 -30.37 69.72 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 119.037 2.977 . . . . 0.0 119.037 -174.37 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -92.86 -9.28 40.84 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.454 1.901 . . . . 0.0 111.459 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.386 0.2 OUTLIER 68.98 42.26 1.32 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 174.308 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -161.35 127.73 3.87 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.801 -1.187 . . . . 0.0 111.142 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.45 156.06 24.18 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -122.69 -167.78 1.63 Allowed 'General case' 0 C--N 1.359 0.998 0 CA-C-N 120.448 1.476 . . . . 0.0 113.793 -177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -15.91 60.99 Favored 'General case' 0 C--N 1.373 1.621 0 N-CA-C 117.451 2.389 . . . . 0.0 117.451 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -96.61 13.42 28.29 Favored 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.153 -0.967 . . . . 0.0 113.58 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.468 0.0 OUTLIER 73.36 5.95 5.08 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 130.918 3.687 . . . . 0.0 115.492 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.66 145.47 25.21 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.008 1.723 . . . . 0.0 110.189 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.99 131.92 35.63 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.102 1.361 . . . . 0.0 107.483 171.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.552 1.043 0 CA-C-O 125.021 2.343 . . . . 0.0 114.104 -168.83 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.54 140.95 31.97 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 125.616 1.567 . . . . 0.0 107.024 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.36 1.041 0 C-N-CA 125.423 1.489 . . . . 0.0 112.831 -175.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.329 76.7 m-20 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 117.518 2.414 . . . . 0.0 117.518 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -92.71 127.03 38.07 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.4 115.5 7.1 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -169.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.4 p -105.73 178.54 4.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.965 2.106 . . . . 0.0 113.049 -175.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -111.87 110.55 20.95 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 130.255 3.422 . . . . 0.0 102.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -39.29 -30.34 0.06 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 121.114 3.746 . . . . 0.0 121.114 -170.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -92.0 3.85 54.32 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 127.397 2.279 . . . . 0.0 113.806 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.84 107.15 17.9 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 120.052 -1.655 . . . . 0.0 109.496 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -71.44 -12.5 61.43 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.139 2.976 . . . . 0.0 118.235 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 54.47 2.1 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.7 m -99.37 140.25 33.83 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 103.531 -2.766 . . . . 0.0 103.531 171.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -8.29 56.76 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.786 -1.821 . . . . 0.0 115.208 -177.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.281 11.7 p -118.4 27.7 8.79 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.314 1.846 . . . . 0.0 109.52 172.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.35 0.0 OUTLIER 76.77 -35.68 0.24 Allowed 'General case' 0 C--N 1.367 1.345 0 C-N-CA 130.635 3.574 . . . . 0.0 117.601 172.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 152.34 39.8 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 117.873 2.546 . . . . 0.0 117.873 -172.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.0 m -86.79 146.6 26.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.428 2.691 . . . . 0.0 111.176 173.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.537 HD22 ' HZ3' ' A' ' 25' ' ' LYS . 31.1 p30 -93.22 -165.4 1.33 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.734 1.614 . . . . 0.0 110.891 177.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' C ' ' HE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -78.58 -24.72 45.36 Favored 'General case' 0 C--N 1.367 1.329 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 179.396 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -88.59 5.67 41.74 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.886 2.874 . . . . 0.0 114.09 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 m120 89.12 7.95 0.11 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 128.433 2.693 . . . . 0.0 113.939 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HZ3' HD22 ' A' ' 21' ' ' ASN . 9.1 mtmp? -100.91 142.38 32.47 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.71 1.141 . . . . 0.0 113.164 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -74.27 116.63 15.14 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 126.268 1.827 . . . . 0.0 107.158 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 122.685 1.231 . . . . 0.0 110.112 -174.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.507 2.422 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -131.81 170.67 14.52 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.735 1.614 . . . . 0.0 109.858 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 129.038 2.935 . . . . 0.0 112.229 178.196 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 121.294 0.568 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.82 140.79 35.64 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 105.067 -2.198 . . . . 0.0 105.067 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.11 142.08 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.415 2.005 . . . . 0.0 116.415 -170.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -142.83 -137.32 0.1 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.525 -1.359 . . . . 0.0 113.492 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -159.72 169.38 23.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.214 3.006 . . . . 0.0 104.507 -167.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -74.59 -14.92 60.84 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -136.99 39.9 2.53 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.936 1.294 . . . . 0.0 111.998 -172.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -139.46 127.52 22.36 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 119.882 -1.761 . . . . 0.0 109.484 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.14 42.77 1.08 Allowed 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.011 -1.68 . . . . 0.0 114.478 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.32 20.77 1.9 Allowed 'General case' 0 C--N 1.37 1.463 0 O-C-N 119.935 -1.728 . . . . 0.0 112.964 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.3 m -117.73 123.34 45.81 Favored 'General case' 0 CA--C 1.496 -1.117 0 C-N-CA 127.952 2.501 . . . . 0.0 105.327 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -6.78 53.11 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -173.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -93.05 -13.06 29.1 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.205 3.402 . . . . 0.0 110.0 171.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.28 10.8 mmt180 71.38 37.66 1.14 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 130.366 3.466 . . . . 0.0 115.474 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -158.76 122.89 3.99 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.667 -1.271 . . . . 0.0 112.725 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.69 149.68 20.99 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 129.195 2.998 . . . . 0.0 106.861 165.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.674 HD22 ' HZ2' ' A' ' 25' ' ' LYS . 5.7 p30 -111.73 -160.5 0.72 Allowed 'General case' 0 C--N 1.359 0.989 0 O-C-N 121.21 -0.931 . . . . 0.0 112.59 176.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -20.82 55.06 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 127.901 2.48 . . . . 0.0 115.676 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -83.88 -1.5 54.58 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 120.425 -1.422 . . . . 0.0 111.513 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 67.24 38.64 3.28 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 131.5 3.92 . . . . 0.0 113.097 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.674 ' HZ2' HD22 ' A' ' 21' ' ' ASN . 5.5 ttpm? -124.64 146.61 49.0 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.33 -172.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.1 m -69.56 124.1 23.03 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 125.323 1.449 . . . . 0.0 112.452 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 CA--C 1.555 1.156 0 CA-C-O 123.168 1.461 . . . . 0.0 111.646 -176.349 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.13 151.22 47.56 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.198 -1.564 . . . . 0.0 111.896 -177.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.458 ' H ' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.433 -1.297 0 C-N-CA 130.379 3.472 . . . . 0.0 116.789 -171.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.265 72.7 m-80 . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.4 147.39 29.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 133.22 45.22 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.783 2.833 . . . . 0.0 115.44 -175.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -129.86 -140.18 0.23 Allowed 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.059 1.744 . . . . 0.0 113.113 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -156.41 142.85 18.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 129.953 3.301 . . . . 0.0 104.193 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -75.21 6.55 4.23 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -151.53 52.15 0.83 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.896 2.078 . . . . 0.0 108.136 -175.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -155.28 125.32 6.63 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.62 33.84 1.4 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.613 1.565 . . . . 0.0 113.154 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.76 7.45 26.8 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.523 -1.361 . . . . 0.0 114.593 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -95.5 137.11 35.02 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -17.63 60.91 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -172.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -82.74 -37.9 24.0 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 128.26 2.624 . . . . 0.0 110.184 171.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.335 8.1 mpt_? 88.46 43.44 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 C-N-CA 130.399 3.479 . . . . 0.0 111.332 177.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -160.08 133.66 7.04 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 m -102.19 169.73 8.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.869 2.068 . . . . 0.0 107.143 170.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -117.31 171.98 7.61 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.875 -1.766 . . . . 0.0 110.672 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -36.87 2.31 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 130.61 3.564 . . . . 0.0 119.466 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -78.4 -17.17 56.79 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.904 2.881 . . . . 0.0 114.76 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 103.79 17.55 0.0 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.624 2.77 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -108.61 144.68 36.01 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.131 1.772 . . . . 0.0 114.898 -173.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 m -73.48 102.1 3.71 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.938 2.895 . . . . 0.0 109.907 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.553 1.088 0 CA-C-O 125.059 2.362 . . . . 0.0 109.083 178.367 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.506 2.33 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 142.49 29.7 Favored 'General case' 0 C--N 1.367 1.343 0 CA-C-N 119.484 1.038 . . . . 0.0 112.65 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.9 pt . . . . . 0 C--N 1.356 0.873 0 C-N-CA 127.612 2.365 . . . . 0.0 116.699 -175.163 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 122.295 1.045 . . . . 0.0 113.281 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -101.11 145.38 28.84 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -77.84 127.26 32.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 126.394 1.878 . . . . 0.0 115.398 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -144.57 164.21 31.61 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 124.35 2.024 . . . . 0.0 114.256 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -111.51 141.92 44.46 Favored 'General case' 0 N--CA 1.437 -1.116 1 C-N-CA 132.988 4.515 . . . . 0.0 101.731 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -56.89 -42.79 80.47 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.869 2.467 . . . . 0.0 116.524 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -103.26 24.22 11.25 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 128.9 2.88 . . . . 0.0 113.16 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.98 -60.52 1.88 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-O 123.07 1.414 . . . . 0.0 112.213 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.52 147.37 33.05 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-O 126.812 3.196 . . . . 0.0 110.233 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.17 88.78 2.81 Favored 'General case' 0 N--CA 1.419 -1.989 2 C-N-CA 134.282 5.033 . . . . 0.0 105.836 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 m -68.58 135.43 51.49 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.462 1.905 . . . . 0.0 111.365 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.97 -5.98 30.02 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -174.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 p -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 129.496 3.119 . . . . 0.0 110.506 174.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.273 6.7 tpm_? 98.89 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.364 1.226 0 C-N-CA 129.923 3.289 . . . . 0.0 113.913 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -123.85 145.96 48.73 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -168.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.7 m -100.56 163.19 12.47 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 128.916 2.886 . . . . 0.0 104.058 163.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -131.02 178.33 6.76 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.17 -0.956 . . . . 0.0 109.501 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -4.59 42.87 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.94 -1.06 57.55 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 125.051 1.34 . . . . 0.0 112.93 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 81.83 40.03 0.05 Allowed 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.695 2.398 . . . . 0.0 112.023 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 7.2 ttpm? -145.14 149.05 34.31 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 121.052 -1.03 . . . . 0.0 111.86 -174.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -76.06 125.83 29.85 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 129.081 2.952 . . . . 0.0 109.392 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 CA--C 1.565 1.538 0 C-N-CA 124.824 1.25 . . . . 0.0 113.818 -175.373 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.5 137.1 21.43 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 173.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 C--N 1.353 0.734 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -171.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.28 88.0 m-20 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.5 129.5 45.68 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 172.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.268 1.5 mptm? -57.19 126.98 29.67 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 121.293 3.812 . . . . 0.0 121.293 -162.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.75 -161.28 0.78 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.827 2.051 . . . . 0.0 113.342 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -153.52 145.72 23.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -69.67 -9.26 53.59 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -99.07 0.42 43.61 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.463 1.905 . . . . 0.0 114.254 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -116.87 108.99 16.51 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 118.656 -2.528 . . . . 0.0 111.577 -173.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -90.33 23.0 3.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.534 2.333 . . . . 0.0 113.219 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -102.06 57.95 0.82 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.11 1.764 . . . . 0.0 112.318 -176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 m -125.89 163.39 23.05 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.042 2.537 . . . . 0.0 108.142 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 36.71 1.82 Allowed 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.587 2.755 . . . . 0.0 112.159 -175.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -156.22 -55.53 0.09 Allowed 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 128.912 2.885 . . . . 0.0 107.221 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.425 41.0 mtt85 87.68 41.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.243 2.217 . . . . 0.0 115.688 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -152.71 133.07 13.65 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 170.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -105.73 165.68 11.0 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 128.649 2.78 . . . . 0.0 109.292 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -136.09 -179.32 5.59 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 121.147 -0.97 . . . . 0.0 110.565 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -10.39 51.82 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 120.215 3.413 . . . . 0.0 120.215 -173.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -96.25 4.23 52.51 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 120.94 -1.1 . . . . 0.0 111.226 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 70.0 m-20 68.92 42.0 1.39 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 129.226 3.01 . . . . 0.0 113.206 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -115.24 145.35 42.52 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 127.525 2.33 . . . . 0.0 108.213 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -90.03 135.93 33.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.084 1.754 . . . . 0.0 107.205 171.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 CA--C 1.564 1.515 0 CA-C-O 124.554 2.121 . . . . 0.0 112.491 -176.163 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -91.8 143.2 26.76 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 126.654 1.982 . . . . 0.0 111.198 176.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 pt . . . . . 0 C--N 1.365 1.277 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -179.824 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -122.94 148.38 45.54 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -46.8 128.05 10.43 Favored 'General case' 0 CA--C 1.546 0.798 1 C-N-CA 134.3 5.04 . . . . 0.0 121.312 -173.593 . . . . . . . . 4 4 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -140.31 -156.73 0.7 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.71 2.004 . . . . 0.0 114.795 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -140.17 128.55 22.65 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 129.924 3.29 . . . . 0.0 104.447 -174.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -46.98 -33.86 5.06 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 120.081 3.363 . . . . 0.0 120.081 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -96.89 7.27 47.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 127.953 2.501 . . . . 0.0 114.204 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -115.73 110.8 19.63 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 119.616 -1.927 . . . . 0.0 110.412 -178.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.64 42.44 1.09 Allowed 'General case' 0 C--N 1.369 1.443 0 O-C-N 118.521 -2.612 . . . . 0.0 111.064 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.91 35.77 1.81 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 130.39 3.476 . . . . 0.0 107.964 176.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.0 m -104.86 134.76 47.43 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 131.173 3.789 . . . . 0.0 104.469 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 m -80.28 61.82 4.21 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.256 179.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -167.12 -51.3 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 129.329 3.052 . . . . 0.0 108.793 -172.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 9.7 mmp_? 116.49 9.01 0.0 OUTLIER 'General case' 0 C--N 1.369 1.443 0 C-N-CA 129.837 3.255 . . . . 0.0 112.366 177.112 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -161.11 163.4 31.42 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 119.858 -1.776 . . . . 0.0 112.737 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.3 m -120.44 166.57 13.4 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 129.476 3.11 . . . . 0.0 109.157 179.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -126.32 -175.77 3.47 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.954 1.302 . . . . 0.0 112.414 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -20.56 65.1 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 129.108 2.963 . . . . 0.0 118.505 -176.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -97.98 1.49 47.95 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.114 1.366 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 81.8 m-20 68.41 44.91 1.23 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 129.709 3.203 . . . . 0.0 112.67 179.303 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -121.88 150.53 41.83 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.833 2.853 . . . . 0.0 107.605 178.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.3 m -80.74 138.22 36.3 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.341 2.656 . . . . 0.0 111.923 173.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 t . . . . . 0 CA--C 1.57 1.749 0 CA-C-O 123.971 1.843 . . . . 0.0 114.724 -174.44 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.273 86.9 mtm-85 -110.21 157.71 19.14 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 122.156 0.979 . . . . 0.0 111.427 174.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt . . . . . 0 C--N 1.356 0.855 0 C-N-CA 125.641 1.576 . . . . 0.0 112.304 -170.232 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.269 58.8 m-80 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.27 154.16 24.3 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 121.663 -0.648 . . . . 0.0 110.334 175.055 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -92.83 137.69 32.14 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 -163.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 p -122.68 -155.3 0.64 Allowed 'General case' 0 C--N 1.363 1.19 1 C-N-CA 131.717 4.007 . . . . 0.0 108.75 176.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CD1' ' CD2' ' A' ' 11' ' ' HIS 0.252 29.3 t80 -162.03 149.68 14.41 Favored 'General case' 0 N--CA 1.428 -1.556 1 N-CA-C 100.095 -4.039 . . . . 0.0 100.095 -174.695 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -71.92 2.72 5.13 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -176.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.485 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -90.55 -3.04 57.87 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.45 2.3 . . . . 0.0 113.589 172.154 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 11' ' ' HIS . 14.6 mt -132.22 124.86 29.79 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 120.447 -1.408 . . . . 0.0 113.326 -171.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.44 20.88 8.82 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 119.567 -1.958 . . . . 0.0 115.994 -177.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -103.01 52.51 0.78 Allowed 'General case' 0 C--N 1.357 0.896 0 O-C-N 119.321 -2.112 . . . . 0.0 114.395 -174.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.88 126.6 44.59 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 170.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.253 0.5 OUTLIER -76.03 16.89 0.38 Allowed 'General case' 0 C--N 1.36 1.064 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 -175.456 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -106.38 -21.55 13.06 Favored 'General case' 0 N--CA 1.439 -0.99 1 C-N-CA 131.836 4.055 . . . . 0.0 111.864 174.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.282 9.8 mmm180 91.76 7.49 0.06 Allowed 'General case' 0 C--N 1.371 1.524 0 C-N-CA 129.238 3.015 . . . . 0.0 111.38 -174.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -153.04 129.82 10.89 Favored 'General case' 0 C--N 1.368 1.391 0 O-C-N 119.811 -1.806 . . . . 0.0 113.05 -173.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 139.06 37.62 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 172.202 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -83.84 168.16 16.37 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 130.433 3.493 . . . . 0.0 111.374 -177.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -77.35 -24.87 50.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.536 1.934 . . . . 0.0 112.393 179.672 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -78.27 -4.21 46.75 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 130.336 3.454 . . . . 0.0 113.96 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.251 63.9 m-80 86.19 11.16 0.21 Allowed 'General case' 0 C--N 1.376 1.718 0 C-N-CA 127.783 2.433 . . . . 0.0 113.928 179.106 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -93.9 147.26 23.26 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.417 1.487 . . . . 0.0 111.567 178.71 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.11 111.1 17.93 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 167.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 CA--C 1.55 0.954 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.581 -168.748 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.508 2.465 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -90.2 146.33 24.34 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 109.839 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 pt -83.52 157.66 3.72 Favored 'Isoleucine or valine' 0 C--N 1.361 1.102 0 C-N-CA 126.393 1.877 . . . . 0.0 115.592 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.318 66.9 m-20 92.65 -8.48 0.18 Allowed 'General case' 0 C--N 1.351 0.671 0 C-N-CA 128.016 2.527 . . . . 0.0 115.472 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -93.39 158.59 15.65 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 124.698 1.199 . . . . 0.0 109.691 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 134.39 55.4 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 130.067 3.347 . . . . 0.0 118.728 -174.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -157.11 169.35 24.99 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 122.485 1.136 . . . . 0.0 112.738 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -113.06 126.55 55.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 129.224 3.01 . . . . 0.0 104.774 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' H ' ' CD ' ' A' ' 10' ' ' GLN 0.262 11.2 mp0 -59.3 -17.63 30.74 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -175.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.87 -2.55 34.04 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.999 1.719 . . . . 0.0 113.966 170.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tp -115.0 100.52 8.25 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.967 1.307 . . . . 0.0 108.164 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -71.25 -3.68 21.67 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -80.04 46.96 0.84 Allowed 'General case' 0 C--N 1.358 0.954 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.0 m -98.19 127.39 44.1 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 102.826 -3.027 . . . . 0.0 102.826 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.2 m -52.31 -22.83 4.91 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -176.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.6 p -97.03 -7.4 33.0 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 130.371 3.468 . . . . 0.0 113.938 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 103.79 -42.14 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.121 3.368 . . . . 0.0 114.719 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -120.98 136.87 54.88 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -167.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -95.7 149.24 21.7 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -117.5 -178.05 3.38 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.225 -1.547 . . . . 0.0 111.522 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -16.69 62.69 Favored 'General case' 0 C--N 1.369 1.426 0 N-CA-C 119.267 3.062 . . . . 0.0 119.267 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.48 6.41 37.87 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.461 0.1 OUTLIER 80.87 15.35 0.64 Allowed 'General case' 0 C--N 1.376 1.731 0 C-N-CA 131.697 3.999 . . . . 0.0 114.06 -179.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -114.97 149.15 37.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.552 -1.343 . . . . 0.0 111.555 -169.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.36 128.76 34.77 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.114 2.566 . . . . 0.0 107.22 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m -66.23 149.54 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.85 0 CA-C-O 127.463 3.506 . . . . 0.0 114.087 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.387 1 O-C-N 116.003 -4.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.506 2.353 0 CA-C-O 121.468 0.652 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -100.53 137.56 38.78 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.074 1.75 . . . . 0.0 107.917 168.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.431 HD12 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -93.2 175.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 126.873 2.069 . . . . 0.0 111.301 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 177.76 51.55 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 128.48 2.712 . . . . 0.0 105.992 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.79 152.2 40.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -100.16 124.2 45.29 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -170.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -128.53 158.08 39.41 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 128.892 2.877 . . . . 0.0 113.194 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -83.93 152.62 24.4 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.846 2.458 . . . . 0.0 108.784 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.21 -30.6 70.57 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -96.24 39.93 1.14 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.496 2.318 . . . . 0.0 112.311 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -125.63 124.25 40.78 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 127.274 2.23 . . . . 0.0 109.185 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -81.25 -23.54 37.93 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 125.841 1.657 . . . . 0.0 114.941 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -79.86 55.16 2.01 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.65 132.18 53.59 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 167.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.282 0.6 OUTLIER -66.17 -7.17 16.39 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 118.017 2.599 . . . . 0.0 118.017 -176.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.6 p -102.94 -14.97 16.3 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 129.176 2.991 . . . . 0.0 112.794 173.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.33 15.4 tpt85 111.88 -58.47 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 1 C-N-CA 131.872 4.069 . . . . 0.0 110.269 -177.013 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -116.65 152.84 33.41 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.335 1.454 . . . . 0.0 114.482 -170.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -85.76 170.63 12.27 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 130.837 3.655 . . . . 0.0 112.328 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -138.58 -169.17 2.55 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.396 -1.44 . . . . 0.0 111.733 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.43 36.92 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 129.46 3.104 . . . . 0.0 118.941 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -84.01 3.85 32.58 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.014 2.526 . . . . 0.0 114.259 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m120 75.08 9.12 3.96 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.273 3.029 . . . . 0.0 112.196 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -92.03 151.71 20.33 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.434 1.494 . . . . 0.0 112.337 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.43 94.83 3.72 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 128.602 2.761 . . . . 0.0 110.599 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.76 128.91 25.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 C-N-CA 124.701 1.201 . . . . 0.0 113.02 -171.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.515 0 O-C-N 118.999 -2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -79.06 149.38 32.15 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 128.171 2.589 . . . . 0.0 114.919 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.633 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -81.64 157.14 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 N-CA-C 116.417 2.006 . . . . 0.0 116.417 -179.767 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.339 80.8 m-20 78.8 26.69 0.47 Allowed 'General case' 0 C--N 1.366 1.315 0 C-N-CA 130.716 3.607 . . . . 0.0 111.499 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -108.53 168.35 9.39 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -93.06 137.66 32.21 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -165.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.26 -152.91 0.53 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.754 1.622 . . . . 0.0 111.296 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -151.88 141.85 22.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.75 -10.45 8.88 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 118.902 2.927 . . . . 0.0 118.902 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.67 -2.23 28.64 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.803 2.041 . . . . 0.0 114.713 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.07 159.89 23.07 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 122.079 2.218 . . . . 0.0 110.934 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -148.53 54.21 1.01 Allowed 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.396 -1.44 . . . . 0.0 110.305 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.49 47.21 1.02 Allowed 'General case' 0 C--N 1.373 1.592 0 O-C-N 119.246 -2.159 . . . . 0.0 108.768 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.6 m -116.16 141.51 48.05 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 129.126 2.97 . . . . 0.0 107.068 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.57 -18.12 64.89 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 128.393 2.677 . . . . 0.0 115.586 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -94.22 -30.73 14.43 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 127.044 2.138 . . . . 0.0 110.716 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 3.5 mpt_? 74.09 34.18 0.88 Allowed 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.733 2.413 . . . . 0.0 114.634 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -149.01 123.51 9.72 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.596 1.158 . . . . 0.0 108.553 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.88 150.15 22.2 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.852 2.061 . . . . 0.0 110.913 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.269 9.0 p30 -102.18 -178.54 3.73 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 120.734 -1.229 . . . . 0.0 108.74 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -10.18 56.92 Favored 'General case' 0 C--N 1.37 1.492 0 CA-C-N 121.569 1.986 . . . . 0.0 115.325 -172.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.53 -20.49 47.03 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.604 2.762 . . . . 0.0 113.378 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 94.57 48.36 0.0 OUTLIER 'General case' 0 C--N 1.369 1.423 0 C-N-CA 130.064 3.345 . . . . 0.0 109.615 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -140.51 142.52 35.23 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 127.164 2.186 . . . . 0.0 109.794 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.8 m -91.45 121.53 33.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.17 2.188 . . . . 0.0 109.096 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -95.93 150.82 4.14 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 C-N-CA 124.448 1.099 . . . . 0.0 110.499 -173.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.467 0 O-C-N 118.992 -2.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.512 2.665 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.23 147.69 22.68 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 125.796 1.638 . . . . 0.0 112.568 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -90.2 163.53 2.31 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -173.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.291 19.8 m-20 75.72 21.72 1.64 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 129.335 3.054 . . . . 0.0 114.989 176.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.17 153.96 23.02 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -70.28 124.54 24.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 119.537 3.162 . . . . 0.0 119.537 -173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.86 -148.34 0.42 Allowed 'General case' 0 C--N 1.371 1.525 0 C-N-CA 128.518 2.727 . . . . 0.0 108.58 175.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -163.0 158.25 21.95 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -66.8 -23.42 66.05 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -93.38 0.61 56.93 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 126.272 1.829 . . . . 0.0 113.328 173.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -126.42 62.11 1.29 Allowed 'General case' 0 C--N 1.362 1.119 0 CA-C-O 123.877 1.798 . . . . 0.0 106.768 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.05 8.16 0.45 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.594 3.158 . . . . 0.0 118.743 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -80.67 59.86 3.77 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.388 1.875 . . . . 0.0 113.435 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.81 133.7 46.14 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 129.233 3.013 . . . . 0.0 103.452 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -60.15 -20.96 60.89 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 127.573 2.349 . . . . 0.0 117.112 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -95.61 -11.2 27.65 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 129.908 3.283 . . . . 0.0 111.47 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.329 51.0 mtt85 69.71 34.68 2.61 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 129.452 3.101 . . . . 0.0 115.525 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -148.83 143.14 26.11 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 124.352 1.061 . . . . 0.0 109.804 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.6 m -117.26 154.97 30.28 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.038 2.535 . . . . 0.0 106.714 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.267 21.8 t-20 -95.1 -161.6 0.87 Allowed 'General case' 0 C--N 1.347 0.493 0 C-N-CA 128.523 2.729 . . . . 0.0 111.122 -172.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -31.13 11.86 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.447 2.299 . . . . 0.0 112.261 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -83.58 -7.07 59.59 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 129.074 2.95 . . . . 0.0 114.4 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.288 71.4 m-80 79.33 61.37 0.02 OUTLIER 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.179 2.992 . . . . 0.0 112.067 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -131.91 146.26 52.0 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 130.248 3.419 . . . . 0.0 106.761 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 m -77.88 123.16 26.42 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 127.795 2.438 . . . . 0.0 108.741 170.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.43 110.51 8.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.763 -174.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.645 0 CA-C-N 121.838 2.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.409 HH22 ' HB3' ' A' ' 12' ' ' LEU . 71.4 mtm180 -110.02 138.91 45.73 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.516 1.526 . . . . 0.0 111.266 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 pt -85.95 176.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 127.055 2.142 . . . . 0.0 112.655 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 100.61 4.04 0.02 OUTLIER 'General case' 0 C--N 1.37 1.495 0 C-N-CA 131.135 3.774 . . . . 0.0 110.366 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -94.35 141.67 28.3 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.638 1.175 . . . . 0.0 108.824 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -83.39 135.83 34.56 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 119.601 3.186 . . . . 0.0 119.601 -166.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.59 170.39 22.49 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.251 1.82 . . . . 0.0 113.721 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -107.41 158.38 17.22 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.728 3.211 . . . . 0.0 106.485 165.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.253 16.8 mp0 -69.46 -17.81 63.66 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 118.882 -2.386 . . . . 0.0 116.597 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -83.77 8.49 14.53 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 125.5 1.52 . . . . 0.0 113.565 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' HB3' HH22 ' A' ' 2' ' ' ARG . 1.0 OUTLIER -124.28 116.63 22.96 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -91.37 5.79 47.91 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.834 1.254 . . . . 0.0 113.253 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.8 40.68 0.82 Allowed 'General case' 0 C--N 1.364 1.226 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -174.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.7 m -95.96 129.06 43.33 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.641 2.776 . . . . 0.0 106.933 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 0.85 28.36 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.229 -1.545 . . . . 0.0 114.547 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 p -113.75 9.85 17.77 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 131.164 3.786 . . . . 0.0 111.06 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.263 6.1 tpm_? 89.87 -45.81 0.02 OUTLIER 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.442 2.697 . . . . 0.0 114.093 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -139.09 160.02 40.78 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 120.514 -1.366 . . . . 0.0 113.91 -172.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -102.01 147.53 26.46 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.999 2.52 . . . . 0.0 110.713 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -117.36 166.25 12.53 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.101 -1.625 . . . . 0.0 113.196 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.0 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.364 1.231 0 C-N-CA 131.604 3.962 . . . . 0.0 121.039 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.9 -10.1 59.74 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.195 1.798 . . . . 0.0 114.935 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 98.07 25.58 0.01 OUTLIER 'General case' 0 C--N 1.377 1.795 0 C-N-CA 128.405 2.682 . . . . 0.0 110.502 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -123.05 139.29 54.23 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 m -68.64 123.35 20.65 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 128.82 2.848 . . . . 0.0 107.564 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -50.82 140.83 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 CA-C-O 126.604 3.097 . . . . 0.0 113.636 -172.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.304 0 O-C-N 117.339 -3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.509 2.514 0 CA-C-O 119.879 -0.105 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -148.62 149.88 32.29 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 102.23 -3.248 . . . . 0.0 102.23 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.0 pt -94.76 165.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.182 0 C-N-CA 125.337 1.455 . . . . 0.0 113.406 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.478 0.4 OUTLIER 74.28 23.2 2.09 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.591 2.756 . . . . 0.0 114.223 -177.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -115.52 151.21 35.27 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.453 1.501 . . . . 0.0 107.827 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.05 138.57 54.52 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.5 m -100.13 178.57 4.74 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.402 2.681 . . . . 0.0 111.163 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -119.56 104.64 10.47 Favored 'General case' 0 C--N 1.353 0.752 1 N-CA-C 97.841 -4.874 . . . . 0.0 97.841 164.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.339 21.2 mt-30 -50.03 -17.02 0.34 Allowed 'General case' 0 C--N 1.373 1.624 0 N-CA-C 121.607 3.929 . . . . 0.0 121.607 -166.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -83.08 -7.71 59.61 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.124 1.77 . . . . 0.0 114.008 170.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -104.32 137.35 42.35 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 119.977 -1.702 . . . . 0.0 111.005 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -107.21 25.32 11.54 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.371 -2.706 . . . . 0.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.08 48.72 1.15 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.628 2.371 . . . . 0.0 116.098 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.3 m -105.7 139.5 40.19 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -16.15 63.52 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -95.65 -6.49 39.94 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 129.754 3.222 . . . . 0.0 113.653 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 26.2 mmm180 76.01 26.49 1.0 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 128.027 2.531 . . . . 0.0 115.626 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -157.55 135.42 10.77 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 119.725 -1.86 . . . . 0.0 111.526 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -102.87 142.03 34.68 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 128.284 2.634 . . . . 0.0 104.045 167.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -85.71 -172.5 4.14 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 123.658 1.694 . . . . 0.0 111.53 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -36.53 73.15 Favored 'General case' 0 C--N 1.349 0.543 0 C-N-CA 127.589 2.356 . . . . 0.0 114.237 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -84.57 -21.35 30.45 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.875 2.07 . . . . 0.0 115.105 -172.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.374 0.0 OUTLIER 121.04 14.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.169 0 C-N-CA 131.564 3.946 . . . . 0.0 111.681 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -106.56 139.64 40.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.703 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.06 118.94 11.2 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.141 2.177 . . . . 0.0 111.425 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.99 113.07 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.535 -174.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.554 0 O-C-N 119.408 -2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.2 mmt-85 -89.73 162.49 15.53 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-O 123.634 1.683 . . . . 0.0 113.032 171.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 pt -94.16 166.12 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 128.233 2.613 . . . . 0.0 109.238 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.281 61.1 m-80 94.11 4.02 0.05 OUTLIER 'General case' 0 C--N 1.371 1.508 0 C-N-CA 130.322 3.449 . . . . 0.0 114.019 -175.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.277 0.0 OUTLIER -99.44 139.67 34.75 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.161 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 20.5 mmtp -76.38 136.45 39.5 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 130.282 3.433 . . . . 0.0 115.715 -163.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.1 p -124.06 -139.98 0.3 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.972 2.509 . . . . 0.0 110.74 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -161.24 152.16 18.38 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 131.613 3.965 . . . . 0.0 102.535 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -71.29 -18.51 62.41 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -97.9 3.83 49.66 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.349 1.46 . . . . 0.0 114.256 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.63 121.17 39.52 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 119.804 -1.81 . . . . 0.0 112.944 -171.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -75.04 62.68 1.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.522 2.329 . . . . 0.0 112.659 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.11 41.78 1.79 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.751 1.62 . . . . 0.0 113.481 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.2 m -114.97 124.83 52.67 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.64 -3.91 37.16 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.922 -1.111 . . . . 0.0 113.929 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 p -105.03 -7.67 19.04 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 129.434 3.094 . . . . 0.0 111.261 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 1.0 OUTLIER 101.27 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.362 1.122 0 C-N-CA 129.544 3.138 . . . . 0.0 113.856 -178.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.11 162.44 34.19 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 119.337 -2.102 . . . . 0.0 115.497 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -98.25 164.77 12.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 129.647 3.179 . . . . 0.0 109.445 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.815 HD22 ' HZ3' ' A' ' 25' ' ' LYS . 41.6 p30 -103.8 -148.2 0.39 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.486 1.514 . . . . 0.0 112.255 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -15.8 25.48 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -100.32 8.67 43.54 Favored 'General case' 0 C--N 1.373 1.618 0 O-C-N 120.451 -1.406 . . . . 0.0 111.266 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 75.76 38.11 0.38 Allowed 'General case' 0 C--N 1.361 1.095 0 C-N-CA 129.929 3.292 . . . . 0.0 113.124 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.815 ' HZ3' HD22 ' A' ' 21' ' ' ASN . 0.9 OUTLIER -122.5 153.7 38.83 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.841 -1.162 . . . . 0.0 108.154 -178.406 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 2' ' ' ARG . 75.3 m -76.23 118.98 19.52 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 126.294 1.837 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 p -88.07 136.82 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 124.548 1.139 . . . . 0.0 109.052 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.621 0 O-C-N 119.445 -2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 120.717 0.294 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -110.31 139.11 45.83 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 127.131 2.173 . . . . 0.0 107.88 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -101.91 164.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 126.799 2.039 . . . . 0.0 107.284 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -157.58 9.75 0.18 Allowed 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 126.103 1.761 . . . . 0.0 113.794 176.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HA ' ' HZ1' ' A' ' 7' ' ' LYS . 3.5 mm-40 -117.28 140.8 49.09 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 102.896 -3.001 . . . . 0.0 102.896 176.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HZ1' ' HA ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -79.53 136.58 36.92 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.145 2.178 . . . . 0.0 114.447 -168.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.66 -163.43 1.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.892 1.677 . . . . 0.0 113.648 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.45 138.47 39.81 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 128.512 2.725 . . . . 0.0 104.093 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -59.38 -23.98 63.03 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.572 2.349 . . . . 0.0 116.583 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -102.01 7.87 41.15 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 126.855 2.062 . . . . 0.0 114.531 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -114.6 122.25 45.91 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 121.658 2.026 . . . . 0.0 114.005 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.39 67.05 0.7 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.301 2.64 . . . . 0.0 114.82 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -140.76 16.6 2.33 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 120.823 -1.173 . . . . 0.0 112.67 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.0 m -97.69 131.82 43.89 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 119.925 -1.734 . . . . 0.0 109.797 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.44 1.25 34.0 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.973 1.709 . . . . 0.0 114.685 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 p -110.46 1.55 18.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 129.555 3.142 . . . . 0.0 109.59 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.32 28.4 mmm180 91.31 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.146 2.579 . . . . 0.0 115.078 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -141.52 172.86 12.1 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.845 1.657 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.3 m -103.89 172.82 6.59 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.221 3.408 . . . . 0.0 110.472 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -133.8 179.96 5.91 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.325 1.45 . . . . 0.0 109.019 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -73.81 -3.84 31.08 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 -175.68 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -87.41 -8.62 56.33 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.83 2.452 . . . . 0.0 111.01 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.447 77.5 m-20 75.27 23.99 1.48 Allowed 'General case' 0 C--N 1.369 1.433 0 C-N-CA 131.431 3.892 . . . . 0.0 114.151 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -104.79 162.29 13.44 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 129.904 3.281 . . . . 0.0 107.93 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.5 m -69.85 149.89 47.39 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 129.009 2.924 . . . . 0.0 110.565 169.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.74 106.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.05 0 CA-C-O 126.244 2.926 . . . . 0.0 114.097 -175.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.559 0 O-C-N 116.889 -3.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 121.552 0.691 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.6 ttp-105 -97.86 155.5 17.03 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.726 2.81 . . . . 0.0 109.711 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt -106.61 162.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 O-C-N 120.435 -1.416 . . . . 0.0 113.419 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.506 0.1 OUTLIER 102.43 -21.23 0.02 OUTLIER 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.816 3.246 . . . . 0.0 112.735 -177.44 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -78.67 153.32 31.09 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 123.002 1.382 . . . . 0.0 111.837 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -76.87 137.24 39.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.28 2.232 . . . . 0.0 116.879 -173.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.0 171.93 15.58 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 124.266 1.984 . . . . 0.0 115.286 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -105.72 131.58 52.91 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 129.614 3.165 . . . . 0.0 107.974 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.257 18.9 mp0 -49.95 -29.74 9.0 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -87.09 4.68 41.17 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.961 1.304 . . . . 0.0 114.122 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.82 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.937 0 O-C-N 119.879 -1.763 . . . . 0.0 108.609 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.6 63.18 3.34 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 118.701 -2.499 . . . . 0.0 116.535 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -95.44 39.54 1.12 Allowed 'General case' 0 C--N 1.366 1.319 0 O-C-N 120.207 -1.558 . . . . 0.0 110.587 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.58 141.99 27.88 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 127.256 2.222 . . . . 0.0 106.218 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.295 0.5 OUTLIER -68.06 -8.78 40.73 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 176.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 p -98.2 -12.6 21.51 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 130.221 3.408 . . . . 0.0 111.563 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 66.9 mtt180 73.64 17.68 3.65 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 131.427 3.891 . . . . 0.0 118.966 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -151.56 144.07 24.21 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.489 2.404 . . . . 0.0 114.547 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.69 154.87 17.0 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.126 1.771 . . . . 0.0 109.195 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.293 38.1 t-20 -89.72 -164.11 1.11 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.737 3.215 . . . . 0.0 110.239 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.61 -28.8 12.68 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.194 -2.191 . . . . 0.0 110.544 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -80.99 8.22 8.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m120 81.02 32.98 0.12 Allowed 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.696 2.398 . . . . 0.0 113.977 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -124.37 148.06 47.78 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.363 1.865 . . . . 0.0 110.909 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.68 115.41 19.28 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.998 2.519 . . . . 0.0 105.969 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -93.71 145.74 7.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.772 0.796 . . . . 0.0 111.949 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.654 0 O-C-N 118.425 -2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.511 2.599 0 CA-C-O 120.522 0.201 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.459 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -100.39 131.94 46.04 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.172 1.389 . . . . 0.0 110.005 172.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.626 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -99.9 157.05 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 O-C-N 120.146 -1.596 . . . . 0.0 115.238 -172.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.274 74.6 m-20 82.23 13.49 0.53 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 130.436 3.495 . . . . 0.0 111.837 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -109.52 162.7 14.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 170.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -83.74 137.68 33.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.019 1.728 . . . . 0.0 113.097 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -125.42 -154.24 0.61 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.278 1.831 . . . . 0.0 109.345 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.68 149.17 28.13 Favored 'General case' 0 N--CA 1.438 -1.037 1 N-CA-C 100.017 -4.068 . . . . 0.0 100.017 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -87.45 -4.11 59.01 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 125.798 1.639 . . . . 0.0 114.044 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -110.94 116.3 30.98 Favored 'General case' 0 C--N 1.367 1.349 0 O-C-N 119.826 -1.796 . . . . 0.0 111.582 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -104.71 55.11 0.71 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 125.382 1.473 . . . . 0.0 109.926 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.47 38.8 3.57 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 125.357 1.463 . . . . 0.0 111.904 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.4 m -95.6 145.75 25.0 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 168.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -31.38 72.54 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.69 2.396 . . . . 0.0 117.056 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -99.96 -7.17 25.48 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.496 3.118 . . . . 0.0 112.171 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 73.73 36.83 0.72 Allowed 'General case' 0 C--N 1.362 1.139 0 N-CA-C 118.464 2.765 . . . . 0.0 118.464 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -154.07 129.86 10.11 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 118.429 -2.669 . . . . 0.0 113.922 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 m -105.83 142.86 34.84 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.167 2.187 . . . . 0.0 106.35 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.259 19.1 p30 -100.84 -149.67 0.38 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.044 -1.035 . . . . 0.0 111.796 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -34.36 33.88 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.981 1.712 . . . . 0.0 114.724 -176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -84.95 -7.35 59.19 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.649 1.58 . . . . 0.0 112.959 -173.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 81.67 24.49 0.24 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.953 3.301 . . . . 0.0 112.051 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -100.29 140.46 34.5 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.324 1.85 . . . . 0.0 107.356 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.28 144.53 28.04 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 111.985 178.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.11 154.54 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 126.733 2.013 . . . . 0.0 109.186 -175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.56 0 O-C-N 116.511 -3.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.503 2.21 0 CA-C-O 120.581 0.229 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.86 144.61 28.71 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.528 1.531 . . . . 0.0 109.32 170.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.464 ' H ' HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -92.13 164.7 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 C-N-CA 126.289 1.835 . . . . 0.0 113.335 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 74.18 15.01 3.72 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 129.989 3.316 . . . . 0.0 112.614 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 150.31 29.54 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -72.81 123.85 24.2 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 125.401 1.481 . . . . 0.0 114.005 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 p -115.96 -144.26 0.38 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.03 2.132 . . . . 0.0 109.531 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -163.26 146.4 10.45 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 130.476 3.51 . . . . 0.0 103.68 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -66.46 -17.76 64.97 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -90.06 0.55 57.07 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 124.857 1.263 . . . . 0.0 113.456 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -110.64 94.97 5.27 Favored 'General case' 0 C--N 1.365 1.249 0 O-C-N 119.286 -2.134 . . . . 0.0 108.278 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.15 -2.33 58.55 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 120.37 -1.456 . . . . 0.0 113.771 -176.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.15 57.0 4.24 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 126.946 2.098 . . . . 0.0 113.513 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -100.9 143.46 31.02 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 172.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -86.91 1.94 50.93 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.552 1.141 . . . . 0.0 112.678 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -82.9 -53.48 5.82 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 130.35 3.46 . . . . 0.0 112.216 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.505 0.0 OUTLIER 136.17 -22.28 0.01 OUTLIER 'General case' 0 C--N 1.356 0.863 1 C-N-CA 132.056 4.142 . . . . 0.0 113.873 171.699 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.3 147.23 12.48 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.88 -1.137 . . . . 0.0 111.232 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -93.57 134.4 35.89 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 126.913 2.085 . . . . 0.0 109.64 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -99.48 176.16 5.6 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.88 -2.388 . . . . 0.0 115.475 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -30.48 -45.75 0.07 Allowed 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 131.588 3.955 . . . . 0.0 119.637 171.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -85.65 -5.47 59.26 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 127.277 2.231 . . . . 0.0 113.545 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 81.41 39.28 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.576 2.75 . . . . 0.0 110.445 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -120.69 139.91 52.37 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.332 1.853 . . . . 0.0 107.452 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.09 128.45 34.65 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 114.11 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -118.36 132.0 69.49 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.831 0 CA-C-O 125.004 2.335 . . . . 0.0 112.007 -174.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.851 0 O-C-N 118.65 -2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.88 172.43 12.81 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 131.231 3.813 . . . . 0.0 102.067 171.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -133.54 -178.59 2.74 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 127.125 2.17 . . . . 0.0 105.342 -173.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 77.58 18.46 1.31 Allowed 'General case' 0 C--N 1.371 1.532 0 C-N-CA 128.172 2.589 . . . . 0.0 114.938 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -99.53 148.59 24.11 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -82.22 137.63 34.85 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.69 1.596 . . . . 0.0 113.947 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.318 14.5 p -124.44 -144.73 0.33 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.125 1.37 . . . . 0.0 109.767 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -165.88 162.08 18.09 Favored 'General case' 0 N--CA 1.434 -1.259 2 N-CA-C 99.397 -4.297 . . . . 0.0 99.397 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -83.75 0.01 49.01 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -103.11 9.64 38.31 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.357 1.463 . . . . 0.0 113.007 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.93 116.69 32.08 Favored 'General case' 0 C--N 1.369 1.444 0 O-C-N 119.494 -2.004 . . . . 0.0 109.021 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -89.52 -19.72 24.69 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 124.565 1.146 . . . . 0.0 112.808 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.33 56.72 2.16 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 119.177 3.028 . . . . 0.0 119.177 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -98.63 139.35 34.48 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 167.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.259 1.1 m -68.48 -12.86 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 117.736 -3.102 . . . . 0.0 116.416 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -91.77 -12.76 32.95 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 129.22 3.008 . . . . 0.0 111.575 170.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 66.6 mmt-85 56.06 42.61 28.23 Favored 'General case' 0 C--N 1.371 1.517 1 C-N-CA 134.134 4.974 . . . . 0.0 115.01 179.367 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -143.67 94.11 2.56 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 124.793 1.237 . . . . 0.0 113.634 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -84.62 163.97 18.96 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 119.836 -1.79 . . . . 0.0 111.631 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -133.48 171.12 14.52 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 125.616 1.566 . . . . 0.0 108.747 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.35 11.23 10.65 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -92.26 -8.05 46.36 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.585 -1.322 . . . . 0.0 110.044 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.446 0.2 OUTLIER 87.95 24.84 0.04 OUTLIER 'General case' 0 C--N 1.369 1.436 0 C-N-CA 129.769 3.228 . . . . 0.0 112.668 -178.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.49 143.65 50.54 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 120.376 -1.453 . . . . 0.0 109.775 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -77.87 124.49 28.05 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.899 2.48 . . . . 0.0 110.027 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.9 t -70.51 131.44 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 124.172 0.989 . . . . 0.0 110.125 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.491 0 O-C-N 119.136 -2.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -102.14 134.08 45.96 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 123.328 1.537 . . . . 0.0 110.218 172.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -87.16 170.43 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 125.431 1.492 . . . . 0.0 112.163 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.552 0.0 OUTLIER 93.46 2.87 0.06 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 130.267 3.427 . . . . 0.0 113.169 -174.048 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -85.91 143.9 27.96 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-O 123.088 1.423 . . . . 0.0 107.965 167.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -81.6 145.71 30.48 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.485 2.714 . . . . 0.0 117.63 -167.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 p -151.2 -137.35 0.08 Allowed 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.006 1.722 . . . . 0.0 112.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.83 174.48 10.58 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 100.204 -3.998 . . . . 0.0 100.204 -171.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -75.18 -32.03 61.13 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-N 122.178 2.263 . . . . 0.0 115.949 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -99.64 24.06 8.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.844 1.658 . . . . 0.0 112.974 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.65 44.78 2.06 Favored 'General case' 0 C--N 1.362 1.112 0 CA-C-O 122.243 1.02 . . . . 0.0 110.795 -175.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -82.04 63.03 6.08 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 120.278 -1.514 . . . . 0.0 114.954 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -89.25 51.34 2.11 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.119 -1.613 . . . . 0.0 109.627 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.25 152.35 27.25 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 127.774 2.43 . . . . 0.0 114.084 -172.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.97 54.15 2.34 Favored 'General case' 0 C--N 1.344 0.367 1 C-N-CA 131.744 4.018 . . . . 0.0 109.681 -177.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 p -176.36 -49.54 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 130.634 3.574 . . . . 0.0 106.899 -172.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.26 1.5 tpp180 88.87 35.68 0.02 OUTLIER 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.378 2.271 . . . . 0.0 115.848 168.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -161.32 132.8 5.51 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.192 -0.942 . . . . 0.0 111.113 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.58 150.13 22.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 126.241 1.816 . . . . 0.0 112.341 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -99.2 -178.08 3.81 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 126.685 1.994 . . . . 0.0 111.624 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -20.74 63.03 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -83.13 -9.39 59.22 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 129.086 2.954 . . . . 0.0 110.839 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.327 65.7 m-80 78.4 40.78 0.12 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 130.82 3.648 . . . . 0.0 111.949 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -123.67 150.38 44.32 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.25 2.22 . . . . 0.0 107.791 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.32 140.12 36.28 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.4 146.16 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 C-N-CA 126.827 2.051 . . . . 0.0 112.091 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.765 0 O-C-N 118.901 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.506 2.354 0 CA-C-O 121.165 0.507 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -149.26 167.36 26.26 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -101.59 159.42 4.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 124.759 1.224 . . . . 0.0 107.992 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.283 0.8 OUTLIER 90.01 2.42 0.19 Allowed 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.353 1.861 . . . . 0.0 114.443 -172.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.7 141.3 30.89 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.069 2.147 . . . . 0.0 106.768 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -72.54 130.05 39.73 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -160.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 p -132.91 171.96 13.24 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 129.062 2.945 . . . . 0.0 110.491 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -107.78 131.68 54.2 Favored 'General case' 0 N--CA 1.427 -1.591 1 C-N-CA 133.83 4.852 . . . . 0.0 103.577 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -56.06 -34.64 66.11 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 118.573 2.805 . . . . 0.0 118.573 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -105.66 54.21 0.7 Allowed 'General case' 0 C--N 1.347 0.481 0 C-N-CA 129.559 3.144 . . . . 0.0 109.917 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -160.49 140.47 11.24 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -101.67 27.79 6.12 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 121.929 2.15 . . . . 0.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.91 59.98 5.16 Favored 'General case' 0 C--N 1.365 1.241 0 O-C-N 118.685 -2.51 . . . . 0.0 114.96 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.9 m -129.62 138.17 51.09 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 127.816 2.446 . . . . 0.0 104.831 173.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -80.36 -3.41 49.49 Favored 'General case' 0 C--N 1.366 1.314 0 O-C-N 120.357 -1.465 . . . . 0.0 114.859 -176.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 p -95.01 -8.35 37.09 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 128.995 2.918 . . . . 0.0 110.255 171.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 91.14 -4.83 0.24 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 129.179 2.992 . . . . 0.0 114.447 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -158.08 154.98 28.43 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.254 -2.154 . . . . 0.0 113.854 -175.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.9 t -97.16 158.12 15.6 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.47 3.108 . . . . 0.0 110.144 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.258 4.6 p30 -114.46 171.24 7.75 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 124.592 1.157 . . . . 0.0 109.102 173.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -10.55 16.86 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 -172.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -97.27 7.43 46.58 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.032 1.333 . . . . 0.0 112.923 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 81.65 31.96 0.12 Allowed 'General case' 0 C--N 1.373 1.619 0 C-N-CA 128.603 2.761 . . . . 0.0 112.227 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -126.2 148.89 49.36 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.907 2.083 . . . . 0.0 110.751 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.26 127.67 33.68 Favored 'General case' 0 C--N 1.365 1.275 0 O-C-N 120.691 -1.255 . . . . 0.0 109.6 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -91.26 137.11 22.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 121.314 -0.866 . . . . 0.0 110.522 -172.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.58 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 120.645 0.259 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.89 142.44 27.46 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.288 1.035 . . . . 0.0 110.508 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 pt -85.85 154.26 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 125.243 1.417 . . . . 0.0 113.255 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 82.0 20.07 0.33 Allowed 'General case' 0 C--N 1.377 1.765 0 C-N-CA 130.313 3.445 . . . . 0.0 111.618 -175.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.64 151.04 26.18 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 172.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -83.22 134.95 34.93 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.555 1.942 . . . . 0.0 113.726 -173.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.02 167.5 10.05 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 124.87 2.271 . . . . 0.0 113.337 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -113.84 119.8 38.54 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 100.508 -3.886 . . . . 0.0 100.508 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.305 46.6 mm-40 -59.32 -16.6 23.09 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 119.722 3.231 . . . . 0.0 119.722 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -80.97 -8.72 59.83 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.787 1.635 . . . . 0.0 113.147 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -94.06 91.86 7.05 Favored 'General case' 0 C--N 1.371 1.504 0 O-C-N 118.356 -2.715 . . . . 0.0 110.033 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -84.7 55.14 3.3 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 129.071 2.949 . . . . 0.0 112.02 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.251 13.3 p-10 -159.28 56.58 0.41 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 124.558 1.143 . . . . 0.0 112.809 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.6 m -93.6 138.17 32.12 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 167.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.317 0.8 OUTLIER -60.54 -30.37 69.72 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 119.037 2.977 . . . . 0.0 119.037 -174.37 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -92.86 -9.28 40.84 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.454 1.901 . . . . 0.0 111.459 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.386 0.2 OUTLIER 68.98 42.26 1.32 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 174.308 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -161.35 127.73 3.87 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.801 -1.187 . . . . 0.0 111.142 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.45 156.06 24.18 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -122.69 -167.78 1.63 Allowed 'General case' 0 C--N 1.359 0.998 0 CA-C-N 120.448 1.476 . . . . 0.0 113.793 -177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -15.91 60.99 Favored 'General case' 0 C--N 1.373 1.621 0 N-CA-C 117.451 2.389 . . . . 0.0 117.451 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -96.61 13.42 28.29 Favored 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.153 -0.967 . . . . 0.0 113.58 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.468 0.0 OUTLIER 73.36 5.95 5.08 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 130.918 3.687 . . . . 0.0 115.492 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.66 145.47 25.21 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.008 1.723 . . . . 0.0 110.189 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.99 131.92 35.63 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.102 1.361 . . . . 0.0 107.483 171.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.7 t -78.36 119.89 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 CA-C-O 125.021 2.343 . . . . 0.0 114.104 -168.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.382 0 O-C-N 117.733 -3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.54 140.95 31.97 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 125.616 1.567 . . . . 0.0 107.024 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -90.08 157.86 2.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 C-N-CA 125.423 1.489 . . . . 0.0 112.831 -175.517 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.329 76.7 m-20 70.77 9.91 6.93 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 128.683 2.793 . . . . 0.0 117.518 -174.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -92.71 127.03 38.07 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.4 115.5 7.1 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -169.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.4 p -105.73 178.54 4.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.965 2.106 . . . . 0.0 113.049 -175.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -111.87 110.55 20.95 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 130.255 3.422 . . . . 0.0 102.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -39.29 -30.34 0.06 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 121.114 3.746 . . . . 0.0 121.114 -170.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -92.0 3.85 54.32 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 127.397 2.279 . . . . 0.0 113.806 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.84 107.15 17.9 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 120.052 -1.655 . . . . 0.0 109.496 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -71.44 -12.5 61.43 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.139 2.976 . . . . 0.0 118.235 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 54.47 2.1 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.7 m -99.37 140.25 33.83 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 103.531 -2.766 . . . . 0.0 103.531 171.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -8.29 56.76 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.786 -1.821 . . . . 0.0 115.208 -177.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.281 11.7 p -118.4 27.7 8.79 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.314 1.846 . . . . 0.0 109.52 172.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.35 0.0 OUTLIER 76.77 -35.68 0.24 Allowed 'General case' 0 C--N 1.367 1.345 0 C-N-CA 130.635 3.574 . . . . 0.0 117.601 172.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 152.34 39.8 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 117.873 2.546 . . . . 0.0 117.873 -172.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.0 m -86.79 146.6 26.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.428 2.691 . . . . 0.0 111.176 173.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.537 HD22 ' HZ3' ' A' ' 25' ' ' LYS . 31.1 p30 -93.22 -165.4 1.33 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.734 1.614 . . . . 0.0 110.891 177.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' C ' ' HE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -78.58 -24.72 45.36 Favored 'General case' 0 C--N 1.367 1.329 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 179.396 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -88.59 5.67 41.74 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.886 2.874 . . . . 0.0 114.09 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 m120 89.12 7.95 0.11 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 128.433 2.693 . . . . 0.0 113.939 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HZ3' HD22 ' A' ' 21' ' ' ASN . 9.1 mtmp? -100.91 142.38 32.47 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.71 1.141 . . . . 0.0 113.164 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -74.27 116.63 15.14 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 126.268 1.827 . . . . 0.0 107.158 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.46 131.54 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 122.685 1.231 . . . . 0.0 110.112 -174.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.67 0 O-C-N 119.055 -2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.507 2.422 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -131.81 170.67 14.52 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.735 1.614 . . . . 0.0 109.858 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -86.1 168.12 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 129.038 2.935 . . . . 0.0 112.229 178.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 84.38 19.5 0.15 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 128.011 2.524 . . . . 0.0 111.97 -172.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.82 140.79 35.64 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 105.067 -2.198 . . . . 0.0 105.067 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.11 142.08 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.415 2.005 . . . . 0.0 116.415 -170.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -142.83 -137.32 0.1 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.525 -1.359 . . . . 0.0 113.492 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -159.72 169.38 23.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.214 3.006 . . . . 0.0 104.507 -167.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -74.59 -14.92 60.84 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -136.99 39.9 2.53 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.936 1.294 . . . . 0.0 111.998 -172.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -139.46 127.52 22.36 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 119.882 -1.761 . . . . 0.0 109.484 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.14 42.77 1.08 Allowed 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.011 -1.68 . . . . 0.0 114.478 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.32 20.77 1.9 Allowed 'General case' 0 C--N 1.37 1.463 0 O-C-N 119.935 -1.728 . . . . 0.0 112.964 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.3 m -117.73 123.34 45.81 Favored 'General case' 0 CA--C 1.496 -1.117 0 C-N-CA 127.952 2.501 . . . . 0.0 105.327 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -6.78 53.11 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -173.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -93.05 -13.06 29.1 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.205 3.402 . . . . 0.0 110.0 171.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.28 10.8 mmt180 71.38 37.66 1.14 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 130.366 3.466 . . . . 0.0 115.474 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -158.76 122.89 3.99 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.667 -1.271 . . . . 0.0 112.725 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.69 149.68 20.99 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 129.195 2.998 . . . . 0.0 106.861 165.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.674 HD22 ' HZ2' ' A' ' 25' ' ' LYS . 5.7 p30 -111.73 -160.5 0.72 Allowed 'General case' 0 C--N 1.359 0.989 0 O-C-N 121.21 -0.931 . . . . 0.0 112.59 176.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -20.82 55.06 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 127.901 2.48 . . . . 0.0 115.676 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -83.88 -1.5 54.58 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 120.425 -1.422 . . . . 0.0 111.513 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 67.24 38.64 3.28 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 131.5 3.92 . . . . 0.0 113.097 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.674 ' HZ2' HD22 ' A' ' 21' ' ' ASN . 5.5 ttpm? -124.64 146.61 49.0 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.33 -172.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.1 m -69.56 124.1 23.03 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 125.323 1.449 . . . . 0.0 112.452 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.87 141.84 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 CA-C-O 123.168 1.461 . . . . 0.0 111.646 -176.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.452 0 O-C-N 117.864 -3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.13 151.22 47.56 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.198 -1.564 . . . . 0.0 111.896 -177.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.458 ' H ' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -81.55 163.32 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 C-N-CA 130.379 3.472 . . . . 0.0 116.789 -171.401 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.265 72.7 m-80 82.39 26.29 0.16 Allowed 'General case' 0 C--N 1.359 1.019 0 C-N-CA 127.311 2.244 . . . . 0.0 113.614 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.4 147.39 29.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 133.22 45.22 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.783 2.833 . . . . 0.0 115.44 -175.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -129.86 -140.18 0.23 Allowed 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.059 1.744 . . . . 0.0 113.113 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -156.41 142.85 18.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 129.953 3.301 . . . . 0.0 104.193 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -75.21 6.55 4.23 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -151.53 52.15 0.83 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.896 2.078 . . . . 0.0 108.136 -175.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -155.28 125.32 6.63 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.62 33.84 1.4 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.613 1.565 . . . . 0.0 113.154 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.76 7.45 26.8 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.523 -1.361 . . . . 0.0 114.593 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -95.5 137.11 35.02 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -17.63 60.91 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -172.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -82.74 -37.9 24.0 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 128.26 2.624 . . . . 0.0 110.184 171.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.335 8.1 mpt_? 88.46 43.44 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 C-N-CA 130.399 3.479 . . . . 0.0 111.332 177.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -160.08 133.66 7.04 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 m -102.19 169.73 8.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.869 2.068 . . . . 0.0 107.143 170.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -117.31 171.98 7.61 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.875 -1.766 . . . . 0.0 110.672 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -36.87 2.31 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 130.61 3.564 . . . . 0.0 119.466 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -78.4 -17.17 56.79 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.904 2.881 . . . . 0.0 114.76 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 103.79 17.55 0.0 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.624 2.77 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -108.61 144.68 36.01 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.131 1.772 . . . . 0.0 114.898 -173.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 m -73.48 102.1 3.71 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.938 2.895 . . . . 0.0 109.907 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p -74.31 109.43 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 CA-C-O 125.059 2.362 . . . . 0.0 109.083 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.465 0 O-C-N 117.965 -2.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.506 2.33 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 142.49 29.7 Favored 'General case' 0 C--N 1.367 1.343 0 CA-C-N 119.484 1.038 . . . . 0.0 112.65 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.9 pt -84.54 158.95 3.5 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 C-N-CA 127.612 2.365 . . . . 0.0 116.699 -175.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 76.23 20.95 1.52 Allowed 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.45 2.3 . . . . 0.0 113.281 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -101.11 145.38 28.84 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -77.84 127.26 32.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 126.394 1.878 . . . . 0.0 115.398 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -144.57 164.21 31.61 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 124.35 2.024 . . . . 0.0 114.256 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -111.51 141.92 44.46 Favored 'General case' 0 N--CA 1.437 -1.116 1 C-N-CA 132.988 4.515 . . . . 0.0 101.731 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -56.89 -42.79 80.47 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.869 2.467 . . . . 0.0 116.524 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -103.26 24.22 11.25 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 128.9 2.88 . . . . 0.0 113.16 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.98 -60.52 1.88 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-O 123.07 1.414 . . . . 0.0 112.213 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.52 147.37 33.05 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-O 126.812 3.196 . . . . 0.0 110.233 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.17 88.78 2.81 Favored 'General case' 0 N--CA 1.419 -1.989 2 C-N-CA 134.282 5.033 . . . . 0.0 105.836 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 m -68.58 135.43 51.49 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.462 1.905 . . . . 0.0 111.365 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.97 -5.98 30.02 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -174.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 p -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 129.496 3.119 . . . . 0.0 110.506 174.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.273 6.7 tpm_? 98.89 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.364 1.226 0 C-N-CA 129.923 3.289 . . . . 0.0 113.913 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -123.85 145.96 48.73 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -168.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.7 m -100.56 163.19 12.47 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 128.916 2.886 . . . . 0.0 104.058 163.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -131.02 178.33 6.76 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.17 -0.956 . . . . 0.0 109.501 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -4.59 42.87 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.94 -1.06 57.55 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 125.051 1.34 . . . . 0.0 112.93 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 81.83 40.03 0.05 Allowed 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.695 2.398 . . . . 0.0 112.023 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 7.2 ttpm? -145.14 149.05 34.31 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 121.052 -1.03 . . . . 0.0 111.86 -174.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -76.06 125.83 29.85 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 129.081 2.952 . . . . 0.0 109.392 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.01 104.4 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.824 1.25 . . . . 0.0 113.818 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.566 0 O-C-N 118.252 -2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.5 137.1 21.43 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 173.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.6 pt -87.17 167.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -171.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.28 88.0 m-20 68.74 8.57 6.84 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 128.131 2.573 . . . . 0.0 117.658 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.5 129.5 45.68 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 172.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.268 1.5 mptm? -57.19 126.98 29.67 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 121.293 3.812 . . . . 0.0 121.293 -162.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.75 -161.28 0.78 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.827 2.051 . . . . 0.0 113.342 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -153.52 145.72 23.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -69.67 -9.26 53.59 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -99.07 0.42 43.61 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.463 1.905 . . . . 0.0 114.254 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -116.87 108.99 16.51 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 118.656 -2.528 . . . . 0.0 111.577 -173.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -90.33 23.0 3.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.534 2.333 . . . . 0.0 113.219 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -102.06 57.95 0.82 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.11 1.764 . . . . 0.0 112.318 -176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 m -125.89 163.39 23.05 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.042 2.537 . . . . 0.0 108.142 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 36.71 1.82 Allowed 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.587 2.755 . . . . 0.0 112.159 -175.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -156.22 -55.53 0.09 Allowed 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 128.912 2.885 . . . . 0.0 107.221 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.425 41.0 mtt85 87.68 41.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.243 2.217 . . . . 0.0 115.688 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -152.71 133.07 13.65 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 170.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -105.73 165.68 11.0 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 128.649 2.78 . . . . 0.0 109.292 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -136.09 -179.32 5.59 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 121.147 -0.97 . . . . 0.0 110.565 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -10.39 51.82 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 120.215 3.413 . . . . 0.0 120.215 -173.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -96.25 4.23 52.51 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 120.94 -1.1 . . . . 0.0 111.226 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 70.0 m-20 68.92 42.0 1.39 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 129.226 3.01 . . . . 0.0 113.206 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -115.24 145.35 42.52 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 127.525 2.33 . . . . 0.0 108.213 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -90.03 135.93 33.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.084 1.754 . . . . 0.0 107.205 171.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.46 161.65 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 CA-C-O 124.554 2.121 . . . . 0.0 112.491 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.482 0 O-C-N 118.42 -2.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -91.8 143.2 26.76 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 126.654 1.982 . . . . 0.0 111.198 176.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 pt -76.11 154.74 5.93 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t30 86.01 24.35 0.07 Allowed 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.895 2.878 . . . . 0.0 113.262 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -122.94 148.38 45.54 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -46.8 128.05 10.43 Favored 'General case' 0 CA--C 1.546 0.798 1 C-N-CA 134.3 5.04 . . . . 0.0 121.312 -173.593 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -140.31 -156.73 0.7 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.71 2.004 . . . . 0.0 114.795 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -140.17 128.55 22.65 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 129.924 3.29 . . . . 0.0 104.447 -174.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -46.98 -33.86 5.06 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 120.081 3.363 . . . . 0.0 120.081 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -96.89 7.27 47.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 127.953 2.501 . . . . 0.0 114.204 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -115.73 110.8 19.63 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 119.616 -1.927 . . . . 0.0 110.412 -178.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.64 42.44 1.09 Allowed 'General case' 0 C--N 1.369 1.443 0 O-C-N 118.521 -2.612 . . . . 0.0 111.064 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.91 35.77 1.81 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 130.39 3.476 . . . . 0.0 107.964 176.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.0 m -104.86 134.76 47.43 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 131.173 3.789 . . . . 0.0 104.469 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 m -80.28 61.82 4.21 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.256 179.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -167.12 -51.3 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 129.329 3.052 . . . . 0.0 108.793 -172.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 9.7 mmp_? 116.49 9.01 0.0 OUTLIER 'General case' 0 C--N 1.369 1.443 0 C-N-CA 129.837 3.255 . . . . 0.0 112.366 177.112 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -161.11 163.4 31.42 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 119.858 -1.776 . . . . 0.0 112.737 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.3 m -120.44 166.57 13.4 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 129.476 3.11 . . . . 0.0 109.157 179.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -126.32 -175.77 3.47 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.954 1.302 . . . . 0.0 112.414 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -20.56 65.1 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 129.108 2.963 . . . . 0.0 118.505 -176.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -97.98 1.49 47.95 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.114 1.366 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 81.8 m-20 68.41 44.91 1.23 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 129.709 3.203 . . . . 0.0 112.67 179.303 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -121.88 150.53 41.83 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.833 2.853 . . . . 0.0 107.605 178.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.3 m -80.74 138.22 36.3 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.341 2.656 . . . . 0.0 111.923 173.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 t -89.47 78.19 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 CA-C-O 123.971 1.843 . . . . 0.0 114.724 -174.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.528 0 O-C-N 117.916 -2.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.273 86.9 mtm-85 -110.21 157.71 19.14 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 122.156 0.979 . . . . 0.0 111.427 174.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt -95.52 167.78 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 125.641 1.576 . . . . 0.0 112.304 -170.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.269 58.8 m-80 96.92 -12.36 0.08 Allowed 'General case' 0 C--N 1.373 1.616 0 C-N-CA 130.574 3.549 . . . . 0.0 112.654 -176.05 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.27 154.16 24.3 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 121.663 -0.648 . . . . 0.0 110.334 175.055 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -92.83 137.69 32.14 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 -163.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 p -122.68 -155.3 0.64 Allowed 'General case' 0 C--N 1.363 1.19 1 C-N-CA 131.717 4.007 . . . . 0.0 108.75 176.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CD1' ' CD2' ' A' ' 11' ' ' HIS 0.252 29.3 t80 -162.03 149.68 14.41 Favored 'General case' 0 N--CA 1.428 -1.556 1 N-CA-C 100.095 -4.039 . . . . 0.0 100.095 -174.695 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -71.92 2.72 5.13 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -176.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.485 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -90.55 -3.04 57.87 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.45 2.3 . . . . 0.0 113.589 172.154 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 11' ' ' HIS . 14.6 mt -132.22 124.86 29.79 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 120.447 -1.408 . . . . 0.0 113.326 -171.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.44 20.88 8.82 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 119.567 -1.958 . . . . 0.0 115.994 -177.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -103.01 52.51 0.78 Allowed 'General case' 0 C--N 1.357 0.896 0 O-C-N 119.321 -2.112 . . . . 0.0 114.395 -174.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.88 126.6 44.59 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 170.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.253 0.5 OUTLIER -76.03 16.89 0.38 Allowed 'General case' 0 C--N 1.36 1.064 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 -175.456 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -106.38 -21.55 13.06 Favored 'General case' 0 N--CA 1.439 -0.99 1 C-N-CA 131.836 4.055 . . . . 0.0 111.864 174.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.282 9.8 mmm180 91.76 7.49 0.06 Allowed 'General case' 0 C--N 1.371 1.524 0 C-N-CA 129.238 3.015 . . . . 0.0 111.38 -174.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -153.04 129.82 10.89 Favored 'General case' 0 C--N 1.368 1.391 0 O-C-N 119.811 -1.806 . . . . 0.0 113.05 -173.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 139.06 37.62 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 172.202 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -83.84 168.16 16.37 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 130.433 3.493 . . . . 0.0 111.374 -177.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -77.35 -24.87 50.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.536 1.934 . . . . 0.0 112.393 179.672 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -78.27 -4.21 46.75 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 130.336 3.454 . . . . 0.0 113.96 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.251 63.9 m-80 86.19 11.16 0.21 Allowed 'General case' 0 C--N 1.376 1.718 0 C-N-CA 127.783 2.433 . . . . 0.0 113.928 179.106 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -93.9 147.26 23.26 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.417 1.487 . . . . 0.0 111.567 178.71 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.11 111.1 17.93 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 167.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p -94.0 137.01 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.581 -168.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.635 0 CA-C-N 121.622 2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.508 2.465 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -90.2 146.33 24.34 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 109.839 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 pt . . . . . 0 C--N 1.361 1.102 0 C-N-CA 126.393 1.877 . . . . 0.0 115.592 -177.144 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.318 66.9 m-20 . . . . . 0 CA--C 1.525 0.016 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -93.39 158.59 15.65 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 124.698 1.199 . . . . 0.0 109.691 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 134.39 55.4 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 130.067 3.347 . . . . 0.0 118.728 -174.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -157.11 169.35 24.99 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 122.485 1.136 . . . . 0.0 112.738 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -113.06 126.55 55.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 129.224 3.01 . . . . 0.0 104.774 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 10' ' ' GLN 0.262 11.2 mp0 -59.3 -17.63 30.74 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -175.672 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.87 -2.55 34.04 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.999 1.719 . . . . 0.0 113.966 170.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tp -115.0 100.52 8.25 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.967 1.307 . . . . 0.0 108.164 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -71.25 -3.68 21.67 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -80.04 46.96 0.84 Allowed 'General case' 0 C--N 1.358 0.954 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.0 m -98.19 127.39 44.1 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 102.826 -3.027 . . . . 0.0 102.826 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.2 m -52.31 -22.83 4.91 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -176.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.6 p -97.03 -7.4 33.0 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 130.371 3.468 . . . . 0.0 113.938 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 103.79 -42.14 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.121 3.368 . . . . 0.0 114.719 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -120.98 136.87 54.88 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -167.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -95.7 149.24 21.7 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -117.5 -178.05 3.38 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.225 -1.547 . . . . 0.0 111.522 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -16.69 62.69 Favored 'General case' 0 C--N 1.369 1.426 0 N-CA-C 119.267 3.062 . . . . 0.0 119.267 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.48 6.41 37.87 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.461 0.1 OUTLIER 80.87 15.35 0.64 Allowed 'General case' 0 C--N 1.376 1.731 0 C-N-CA 131.697 3.999 . . . . 0.0 114.06 -179.385 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -114.97 149.15 37.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.552 -1.343 . . . . 0.0 111.555 -169.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.36 128.76 34.77 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.114 2.566 . . . . 0.0 107.22 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.573 1.85 0 CA-C-O 127.463 3.506 . . . . 0.0 114.087 -179.203 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.506 2.353 0 CA-C-O 121.468 0.652 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -100.53 137.56 38.78 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.074 1.75 . . . . 0.0 107.917 168.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.491 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.356 0.887 0 C-N-CA 126.873 2.069 . . . . 0.0 111.301 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.79 152.2 40.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -100.16 124.2 45.29 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -170.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -128.53 158.08 39.41 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 128.892 2.877 . . . . 0.0 113.194 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -83.93 152.62 24.4 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.846 2.458 . . . . 0.0 108.784 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.21 -30.6 70.57 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -96.24 39.93 1.14 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.496 2.318 . . . . 0.0 112.311 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -125.63 124.25 40.78 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 127.274 2.23 . . . . 0.0 109.185 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -81.25 -23.54 37.93 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 125.841 1.657 . . . . 0.0 114.941 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -79.86 55.16 2.01 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.65 132.18 53.59 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 167.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.282 0.6 OUTLIER -66.17 -7.17 16.39 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 118.017 2.599 . . . . 0.0 118.017 -176.754 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.6 p -102.94 -14.97 16.3 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 129.176 2.991 . . . . 0.0 112.794 173.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.33 15.4 tpt85 111.88 -58.47 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 1 C-N-CA 131.872 4.069 . . . . 0.0 110.269 -177.013 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -116.65 152.84 33.41 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.335 1.454 . . . . 0.0 114.482 -170.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -85.76 170.63 12.27 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 130.837 3.655 . . . . 0.0 112.328 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -138.58 -169.17 2.55 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.396 -1.44 . . . . 0.0 111.733 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.43 36.92 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 129.46 3.104 . . . . 0.0 118.941 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -84.01 3.85 32.58 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.014 2.526 . . . . 0.0 114.259 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m120 75.08 9.12 3.96 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.273 3.029 . . . . 0.0 112.196 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -92.03 151.71 20.33 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.434 1.494 . . . . 0.0 112.337 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.43 94.83 3.72 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 128.602 2.761 . . . . 0.0 110.599 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.356 0.89 0 C-N-CA 124.701 1.201 . . . . 0.0 113.02 -171.71 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -79.06 149.38 32.15 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 128.171 2.589 . . . . 0.0 114.919 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.185 0 N-CA-C 116.417 2.006 . . . . 0.0 116.417 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.339 80.8 m-20 . . . . . 0 N--CA 1.46 0.044 0 CA-C-O 123.177 1.465 . . . . 0.0 111.499 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -108.53 168.35 9.39 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -93.06 137.66 32.21 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -165.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.26 -152.91 0.53 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.754 1.622 . . . . 0.0 111.296 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -151.88 141.85 22.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.75 -10.45 8.88 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 118.902 2.927 . . . . 0.0 118.902 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.67 -2.23 28.64 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.803 2.041 . . . . 0.0 114.713 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.07 159.89 23.07 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 122.079 2.218 . . . . 0.0 110.934 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -148.53 54.21 1.01 Allowed 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.396 -1.44 . . . . 0.0 110.305 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.49 47.21 1.02 Allowed 'General case' 0 C--N 1.373 1.592 0 O-C-N 119.246 -2.159 . . . . 0.0 108.768 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.6 m -116.16 141.51 48.05 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 129.126 2.97 . . . . 0.0 107.068 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.57 -18.12 64.89 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 128.393 2.677 . . . . 0.0 115.586 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -94.22 -30.73 14.43 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 127.044 2.138 . . . . 0.0 110.716 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 3.5 mpt_? 74.09 34.18 0.88 Allowed 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.733 2.413 . . . . 0.0 114.634 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -149.01 123.51 9.72 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.596 1.158 . . . . 0.0 108.553 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.88 150.15 22.2 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.852 2.061 . . . . 0.0 110.913 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.269 9.0 p30 -102.18 -178.54 3.73 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 120.734 -1.229 . . . . 0.0 108.74 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -10.18 56.92 Favored 'General case' 0 C--N 1.37 1.492 0 CA-C-N 121.569 1.986 . . . . 0.0 115.325 -172.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.53 -20.49 47.03 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.604 2.762 . . . . 0.0 113.378 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 94.57 48.36 0.0 OUTLIER 'General case' 0 C--N 1.369 1.423 0 C-N-CA 130.064 3.345 . . . . 0.0 109.615 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -140.51 142.52 35.23 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 127.164 2.186 . . . . 0.0 109.794 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.8 m -91.45 121.53 33.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.17 2.188 . . . . 0.0 109.096 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.221 -0.443 0 C-N-CA 124.448 1.099 . . . . 0.0 110.499 -173.414 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.512 2.665 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.23 147.69 22.68 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 125.796 1.638 . . . . 0.0 112.568 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt . . . . . 0 C--N 1.359 0.993 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -173.486 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.291 19.8 m-20 . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.17 153.96 23.02 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 61.1 mmtt -70.28 124.54 24.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 119.537 3.162 . . . . 0.0 119.537 -173.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.86 -148.34 0.42 Allowed 'General case' 0 C--N 1.371 1.525 0 C-N-CA 128.518 2.727 . . . . 0.0 108.58 175.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -163.0 158.25 21.95 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -66.8 -23.42 66.05 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -93.38 0.61 56.93 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 126.272 1.829 . . . . 0.0 113.328 173.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -126.42 62.11 1.29 Allowed 'General case' 0 C--N 1.362 1.119 0 CA-C-O 123.877 1.798 . . . . 0.0 106.768 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.05 8.16 0.45 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.594 3.158 . . . . 0.0 118.743 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -80.67 59.86 3.77 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.388 1.875 . . . . 0.0 113.435 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.81 133.7 46.14 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 129.233 3.013 . . . . 0.0 103.452 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -60.15 -20.96 60.89 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 127.573 2.349 . . . . 0.0 117.112 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -95.61 -11.2 27.65 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 129.908 3.283 . . . . 0.0 111.47 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.329 51.0 mtt85 69.71 34.68 2.61 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 129.452 3.101 . . . . 0.0 115.525 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -148.83 143.14 26.11 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 124.352 1.061 . . . . 0.0 109.804 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.6 m -117.26 154.97 30.28 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.038 2.535 . . . . 0.0 106.714 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.267 21.8 t-20 -95.1 -161.6 0.87 Allowed 'General case' 0 C--N 1.347 0.493 0 C-N-CA 128.523 2.729 . . . . 0.0 111.122 -172.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -31.13 11.86 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.447 2.299 . . . . 0.0 112.261 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -83.58 -7.07 59.59 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 129.074 2.95 . . . . 0.0 114.4 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.288 71.4 m-80 79.33 61.37 0.02 OUTLIER 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.179 2.992 . . . . 0.0 112.067 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 2.1 ttmp? -131.91 146.26 52.0 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 130.248 3.419 . . . . 0.0 106.761 -177.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 m -77.88 123.16 26.42 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 127.795 2.438 . . . . 0.0 108.741 170.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.549 0.936 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.763 -174.427 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.435 ' HB3' ' HB3' ' A' ' 6' ' ' GLN . 71.4 mtm180 -110.02 138.91 45.73 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.516 1.526 . . . . 0.0 111.266 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 pt . . . . . 0 C--N 1.355 0.843 0 C-N-CA 127.055 2.142 . . . . 0.0 112.655 -176.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 121.046 0.45 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 2' ' ' ARG . 1.6 tp-100 -94.35 141.67 28.3 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.638 1.175 . . . . 0.0 108.824 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -83.39 135.83 34.56 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 119.601 3.186 . . . . 0.0 119.601 -166.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.59 170.39 22.49 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.251 1.82 . . . . 0.0 113.721 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -107.41 158.38 17.22 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.728 3.211 . . . . 0.0 106.485 165.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.253 16.8 mp0 -69.46 -17.81 63.66 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 118.882 -2.386 . . . . 0.0 116.597 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -83.77 8.49 14.53 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 125.5 1.52 . . . . 0.0 113.565 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HB3' HH22 ' A' ' 2' ' ' ARG . 1.0 OUTLIER -124.28 116.63 22.96 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -91.37 5.79 47.91 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.834 1.254 . . . . 0.0 113.253 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.8 40.68 0.82 Allowed 'General case' 0 C--N 1.364 1.226 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -174.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.7 m -95.96 129.06 43.33 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.641 2.776 . . . . 0.0 106.933 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 0.85 28.36 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.229 -1.545 . . . . 0.0 114.547 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 p -113.75 9.85 17.77 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 131.164 3.786 . . . . 0.0 111.06 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.263 6.1 tpm_? 89.87 -45.81 0.02 OUTLIER 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.442 2.697 . . . . 0.0 114.093 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -139.09 160.02 40.78 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 120.514 -1.366 . . . . 0.0 113.91 -172.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -102.01 147.53 26.46 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.999 2.52 . . . . 0.0 110.713 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -117.36 166.25 12.53 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.101 -1.625 . . . . 0.0 113.196 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.0 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.364 1.231 0 C-N-CA 131.604 3.962 . . . . 0.0 121.039 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.9 -10.1 59.74 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.195 1.798 . . . . 0.0 114.935 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 98.07 25.58 0.01 OUTLIER 'General case' 0 C--N 1.377 1.795 0 C-N-CA 128.405 2.682 . . . . 0.0 110.502 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -123.05 139.29 54.23 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 m -68.64 123.35 20.65 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 128.82 2.848 . . . . 0.0 107.564 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t . . . . . 0 CA--C 1.558 1.258 0 CA-C-O 126.604 3.097 . . . . 0.0 113.636 -172.492 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.509 2.514 0 CA-C-O 119.879 -0.105 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -148.62 149.88 32.29 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 102.23 -3.248 . . . . 0.0 102.23 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.0 pt . . . . . 0 C--N 1.363 1.182 0 C-N-CA 125.337 1.455 . . . . 0.0 113.406 -177.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.478 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -115.52 151.21 35.27 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.453 1.501 . . . . 0.0 107.827 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.05 138.57 54.52 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.5 m -100.13 178.57 4.74 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.402 2.681 . . . . 0.0 111.163 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -119.56 104.64 10.47 Favored 'General case' 0 C--N 1.353 0.752 1 N-CA-C 97.841 -4.874 . . . . 0.0 97.841 164.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.339 21.2 mt-30 -50.03 -17.02 0.34 Allowed 'General case' 0 C--N 1.373 1.624 0 N-CA-C 121.607 3.929 . . . . 0.0 121.607 -166.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -83.08 -7.71 59.61 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.124 1.77 . . . . 0.0 114.008 170.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -104.32 137.35 42.35 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 119.977 -1.702 . . . . 0.0 111.005 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -107.21 25.32 11.54 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.371 -2.706 . . . . 0.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.08 48.72 1.15 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.628 2.371 . . . . 0.0 116.098 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.3 m -105.7 139.5 40.19 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -16.15 63.52 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -95.65 -6.49 39.94 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 129.754 3.222 . . . . 0.0 113.653 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 26.2 mmm180 76.01 26.49 1.0 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 128.027 2.531 . . . . 0.0 115.626 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -157.55 135.42 10.77 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 119.725 -1.86 . . . . 0.0 111.526 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -102.87 142.03 34.68 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 128.284 2.634 . . . . 0.0 104.045 167.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -85.71 -172.5 4.14 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 123.658 1.694 . . . . 0.0 111.53 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -36.53 73.15 Favored 'General case' 0 C--N 1.349 0.543 0 C-N-CA 127.589 2.356 . . . . 0.0 114.237 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -84.57 -21.35 30.45 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.875 2.07 . . . . 0.0 115.105 -172.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.374 0.0 OUTLIER 121.04 14.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.169 0 C-N-CA 131.564 3.946 . . . . 0.0 111.681 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -106.56 139.64 40.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.703 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.06 118.94 11.2 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.141 2.177 . . . . 0.0 111.425 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.535 -174.22 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -89.73 162.49 15.53 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-O 123.634 1.683 . . . . 0.0 113.032 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 pt . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 128.233 2.613 . . . . 0.0 109.238 176.628 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.281 61.1 m-80 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.277 1.2 tp60 -99.44 139.67 34.75 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 20.5 mmtp -76.38 136.45 39.5 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 130.282 3.433 . . . . 0.0 115.715 -163.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.1 p -124.06 -139.98 0.3 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.972 2.509 . . . . 0.0 110.74 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -161.24 152.16 18.38 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 131.613 3.965 . . . . 0.0 102.535 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -71.29 -18.51 62.41 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -97.9 3.83 49.66 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.349 1.46 . . . . 0.0 114.256 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.63 121.17 39.52 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 119.804 -1.81 . . . . 0.0 112.944 -171.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -75.04 62.68 1.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.522 2.329 . . . . 0.0 112.659 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.11 41.78 1.79 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.751 1.62 . . . . 0.0 113.481 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.2 m -114.97 124.83 52.67 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.64 -3.91 37.16 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.922 -1.111 . . . . 0.0 113.929 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 p -105.03 -7.67 19.04 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 129.434 3.094 . . . . 0.0 111.261 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 1.0 OUTLIER 101.27 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.362 1.122 0 C-N-CA 129.544 3.138 . . . . 0.0 113.856 -178.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.11 162.44 34.19 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 119.337 -2.102 . . . . 0.0 115.497 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -98.25 164.77 12.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 129.647 3.179 . . . . 0.0 109.445 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.543 ' ND2' ' H ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -103.8 -148.2 0.39 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.486 1.514 . . . . 0.0 112.255 176.286 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -15.8 25.48 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.543 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 85.8 m-85 -100.32 8.67 43.54 Favored 'General case' 0 C--N 1.373 1.618 0 O-C-N 120.451 -1.406 . . . . 0.0 111.266 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 75.76 38.11 0.38 Allowed 'General case' 0 C--N 1.361 1.095 0 C-N-CA 129.929 3.292 . . . . 0.0 113.124 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -122.5 153.7 38.83 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.841 -1.162 . . . . 0.0 108.154 -178.406 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.23 118.98 19.52 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 126.294 1.837 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 124.548 1.139 . . . . 0.0 109.052 -178.211 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 120.717 0.294 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -110.31 139.11 45.83 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 127.131 2.173 . . . . 0.0 107.88 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--N 1.353 0.759 0 C-N-CA 126.799 2.039 . . . . 0.0 107.284 175.064 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -117.28 140.8 49.09 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 102.896 -3.001 . . . . 0.0 102.896 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.53 136.58 36.92 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.145 2.178 . . . . 0.0 114.447 -168.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.66 -163.43 1.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.892 1.677 . . . . 0.0 113.648 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.45 138.47 39.81 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 128.512 2.725 . . . . 0.0 104.093 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -59.38 -23.98 63.03 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.572 2.349 . . . . 0.0 116.583 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -102.01 7.87 41.15 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 126.855 2.062 . . . . 0.0 114.531 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -114.6 122.25 45.91 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 121.658 2.026 . . . . 0.0 114.005 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.39 67.05 0.7 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.301 2.64 . . . . 0.0 114.82 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -140.76 16.6 2.33 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 120.823 -1.173 . . . . 0.0 112.67 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.0 m -97.69 131.82 43.89 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 119.925 -1.734 . . . . 0.0 109.797 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.44 1.25 34.0 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.973 1.709 . . . . 0.0 114.685 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 p -110.46 1.55 18.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 129.555 3.142 . . . . 0.0 109.59 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.32 28.4 mmm180 91.31 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.146 2.579 . . . . 0.0 115.078 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -141.52 172.86 12.1 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.845 1.657 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 78.3 m -103.89 172.82 6.59 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.221 3.408 . . . . 0.0 110.472 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -133.8 179.96 5.91 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.325 1.45 . . . . 0.0 109.019 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -73.81 -3.84 31.08 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 -175.68 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -87.41 -8.62 56.33 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.83 2.452 . . . . 0.0 111.01 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.447 77.5 m-20 75.27 23.99 1.48 Allowed 'General case' 0 C--N 1.369 1.433 0 C-N-CA 131.431 3.892 . . . . 0.0 114.151 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -104.79 162.29 13.44 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 129.904 3.281 . . . . 0.0 107.93 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 68.5 m -69.85 149.89 47.39 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 129.009 2.924 . . . . 0.0 110.565 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 C--N 1.36 1.05 0 CA-C-O 126.244 2.926 . . . . 0.0 114.097 -175.17 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 121.552 0.691 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.6 ttp-105 -97.86 155.5 17.03 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.726 2.81 . . . . 0.0 109.711 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt . . . . . 0 C--N 1.353 0.734 0 O-C-N 120.435 -1.416 . . . . 0.0 113.419 -173.504 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.506 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.309 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -78.67 153.32 31.09 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 123.002 1.382 . . . . 0.0 111.837 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -76.87 137.24 39.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.28 2.232 . . . . 0.0 116.879 -173.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.0 171.93 15.58 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 124.266 1.984 . . . . 0.0 115.286 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -105.72 131.58 52.91 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 129.614 3.165 . . . . 0.0 107.974 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.257 18.9 mp0 -49.95 -29.74 9.0 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -87.09 4.68 41.17 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.961 1.304 . . . . 0.0 114.122 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.82 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.937 0 O-C-N 119.879 -1.763 . . . . 0.0 108.609 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.6 63.18 3.34 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 118.701 -2.499 . . . . 0.0 116.535 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -95.44 39.54 1.12 Allowed 'General case' 0 C--N 1.366 1.319 0 O-C-N 120.207 -1.558 . . . . 0.0 110.587 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.58 141.99 27.88 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 127.256 2.222 . . . . 0.0 106.218 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.295 0.5 OUTLIER -68.06 -8.78 40.73 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 176.667 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 p -98.2 -12.6 21.51 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 130.221 3.408 . . . . 0.0 111.563 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 66.9 mtt180 73.64 17.68 3.65 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 131.427 3.891 . . . . 0.0 118.966 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -151.56 144.07 24.21 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.489 2.404 . . . . 0.0 114.547 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.69 154.87 17.0 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.126 1.771 . . . . 0.0 109.195 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.293 38.1 t-20 -89.72 -164.11 1.11 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.737 3.215 . . . . 0.0 110.239 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.61 -28.8 12.68 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.194 -2.191 . . . . 0.0 110.544 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -80.99 8.22 8.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m120 81.02 32.98 0.12 Allowed 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.696 2.398 . . . . 0.0 113.977 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -124.37 148.06 47.78 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.363 1.865 . . . . 0.0 110.909 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.68 115.41 19.28 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.998 2.519 . . . . 0.0 105.969 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 CA--C 1.545 0.788 0 CA-C-O 121.772 0.796 . . . . 0.0 111.949 -173.504 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.511 2.599 0 CA-C-O 120.522 0.201 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -100.39 131.94 46.04 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.172 1.389 . . . . 0.0 110.005 172.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.716 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.437 -1.099 0 O-C-N 120.146 -1.596 . . . . 0.0 115.238 -172.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.274 74.6 m-20 . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 122.756 1.265 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -109.52 162.7 14.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 170.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -83.74 137.68 33.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.019 1.728 . . . . 0.0 113.097 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -125.42 -154.24 0.61 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.278 1.831 . . . . 0.0 109.345 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.68 149.17 28.13 Favored 'General case' 0 N--CA 1.438 -1.037 1 N-CA-C 100.017 -4.068 . . . . 0.0 100.017 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -87.45 -4.11 59.01 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 125.798 1.639 . . . . 0.0 114.044 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -110.94 116.3 30.98 Favored 'General case' 0 C--N 1.367 1.349 0 O-C-N 119.826 -1.796 . . . . 0.0 111.582 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -104.71 55.11 0.71 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 125.382 1.473 . . . . 0.0 109.926 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.47 38.8 3.57 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 125.357 1.463 . . . . 0.0 111.904 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.4 m -95.6 145.75 25.0 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 168.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -31.38 72.54 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.69 2.396 . . . . 0.0 117.056 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -99.96 -7.17 25.48 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.496 3.118 . . . . 0.0 112.171 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 73.73 36.83 0.72 Allowed 'General case' 0 C--N 1.362 1.139 0 N-CA-C 118.464 2.765 . . . . 0.0 118.464 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -154.07 129.86 10.11 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 118.429 -2.669 . . . . 0.0 113.922 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 m -105.83 142.86 34.84 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.167 2.187 . . . . 0.0 106.35 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.259 19.1 p30 -100.84 -149.67 0.38 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.044 -1.035 . . . . 0.0 111.796 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -34.36 33.88 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.981 1.712 . . . . 0.0 114.724 -176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -84.95 -7.35 59.19 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.649 1.58 . . . . 0.0 112.959 -173.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 81.67 24.49 0.24 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.953 3.301 . . . . 0.0 112.051 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -100.29 140.46 34.5 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.324 1.85 . . . . 0.0 107.356 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.28 144.53 28.04 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 111.985 178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 126.733 2.013 . . . . 0.0 109.186 -175.029 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.503 2.21 0 CA-C-O 120.581 0.229 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.86 144.61 28.71 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.528 1.531 . . . . 0.0 109.32 170.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.539 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 C-N-CA 126.289 1.835 . . . . 0.0 113.335 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.457 HD21 ' N ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 122.081 0.944 . . . . 0.0 112.614 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 150.31 29.54 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -72.81 123.85 24.2 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 125.401 1.481 . . . . 0.0 114.005 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 p -115.96 -144.26 0.38 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.03 2.132 . . . . 0.0 109.531 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -163.26 146.4 10.45 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 130.476 3.51 . . . . 0.0 103.68 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -66.46 -17.76 64.97 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -90.06 0.55 57.07 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 124.857 1.263 . . . . 0.0 113.456 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -110.64 94.97 5.27 Favored 'General case' 0 C--N 1.365 1.249 0 O-C-N 119.286 -2.134 . . . . 0.0 108.278 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.15 -2.33 58.55 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 120.37 -1.456 . . . . 0.0 113.771 -176.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.15 57.0 4.24 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 126.946 2.098 . . . . 0.0 113.513 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -100.9 143.46 31.02 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 172.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -86.91 1.94 50.93 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.552 1.141 . . . . 0.0 112.678 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -82.9 -53.48 5.82 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 130.35 3.46 . . . . 0.0 112.216 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.505 0.0 OUTLIER 136.17 -22.28 0.01 OUTLIER 'General case' 0 C--N 1.356 0.863 1 C-N-CA 132.056 4.142 . . . . 0.0 113.873 171.699 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.3 147.23 12.48 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.88 -1.137 . . . . 0.0 111.232 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -93.57 134.4 35.89 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 126.913 2.085 . . . . 0.0 109.64 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -99.48 176.16 5.6 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.88 -2.388 . . . . 0.0 115.475 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -30.48 -45.75 0.07 Allowed 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 131.588 3.955 . . . . 0.0 119.637 171.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -85.65 -5.47 59.26 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 127.277 2.231 . . . . 0.0 113.545 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 81.41 39.28 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.576 2.75 . . . . 0.0 110.445 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -120.69 139.91 52.37 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.332 1.853 . . . . 0.0 107.452 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.09 128.45 34.65 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 114.11 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.573 1.831 0 CA-C-O 125.004 2.335 . . . . 0.0 112.007 -174.76 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.88 172.43 12.81 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 131.231 3.813 . . . . 0.0 102.067 171.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt . . . . . 0 C--N 1.343 0.32 0 C-N-CA 127.125 2.17 . . . . 0.0 105.342 -173.161 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -99.53 148.59 24.11 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -82.22 137.63 34.85 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.69 1.596 . . . . 0.0 113.947 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.318 14.5 p -124.44 -144.73 0.33 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.125 1.37 . . . . 0.0 109.767 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -165.88 162.08 18.09 Favored 'General case' 0 N--CA 1.434 -1.259 2 N-CA-C 99.397 -4.297 . . . . 0.0 99.397 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -83.75 0.01 49.01 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -103.11 9.64 38.31 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.357 1.463 . . . . 0.0 113.007 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.93 116.69 32.08 Favored 'General case' 0 C--N 1.369 1.444 0 O-C-N 119.494 -2.004 . . . . 0.0 109.021 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -89.52 -19.72 24.69 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 124.565 1.146 . . . . 0.0 112.808 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.33 56.72 2.16 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 119.177 3.028 . . . . 0.0 119.177 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -98.63 139.35 34.48 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 167.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.259 1.1 m -68.48 -12.86 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 117.736 -3.102 . . . . 0.0 116.416 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -91.77 -12.76 32.95 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 129.22 3.008 . . . . 0.0 111.575 170.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 66.6 mmt-85 56.06 42.61 28.23 Favored 'General case' 0 C--N 1.371 1.517 1 C-N-CA 134.134 4.974 . . . . 0.0 115.01 179.367 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -143.67 94.11 2.56 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 124.793 1.237 . . . . 0.0 113.634 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -84.62 163.97 18.96 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 119.836 -1.79 . . . . 0.0 111.631 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -133.48 171.12 14.52 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 125.616 1.566 . . . . 0.0 108.747 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.35 11.23 10.65 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -92.26 -8.05 46.36 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.585 -1.322 . . . . 0.0 110.044 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.446 0.2 OUTLIER 87.95 24.84 0.04 OUTLIER 'General case' 0 C--N 1.369 1.436 0 C-N-CA 129.769 3.228 . . . . 0.0 112.668 -178.778 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.49 143.65 50.54 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 120.376 -1.453 . . . . 0.0 109.775 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -77.87 124.49 28.05 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.899 2.48 . . . . 0.0 110.027 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.9 t . . . . . 0 CA--C 1.564 1.486 0 C-N-CA 124.172 0.989 . . . . 0.0 110.125 178.534 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -102.14 134.08 45.96 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 123.328 1.537 . . . . 0.0 110.218 172.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 125.431 1.492 . . . . 0.0 112.163 -176.925 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.552 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -85.91 143.9 27.96 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-O 123.088 1.423 . . . . 0.0 107.965 167.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -81.6 145.71 30.48 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.485 2.714 . . . . 0.0 117.63 -167.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 p -151.2 -137.35 0.08 Allowed 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.006 1.722 . . . . 0.0 112.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.83 174.48 10.58 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 100.204 -3.998 . . . . 0.0 100.204 -171.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -75.18 -32.03 61.13 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-N 122.178 2.263 . . . . 0.0 115.949 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -99.64 24.06 8.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.844 1.658 . . . . 0.0 112.974 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.65 44.78 2.06 Favored 'General case' 0 C--N 1.362 1.112 0 CA-C-O 122.243 1.02 . . . . 0.0 110.795 -175.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -82.04 63.03 6.08 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 120.278 -1.514 . . . . 0.0 114.954 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -89.25 51.34 2.11 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.119 -1.613 . . . . 0.0 109.627 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.25 152.35 27.25 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 127.774 2.43 . . . . 0.0 114.084 -172.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.97 54.15 2.34 Favored 'General case' 0 C--N 1.344 0.367 1 C-N-CA 131.744 4.018 . . . . 0.0 109.681 -177.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 p -176.36 -49.54 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 130.634 3.574 . . . . 0.0 106.899 -172.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.26 1.5 tpp180 88.87 35.68 0.02 OUTLIER 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.378 2.271 . . . . 0.0 115.848 168.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -161.32 132.8 5.51 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.192 -0.942 . . . . 0.0 111.113 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.58 150.13 22.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 126.241 1.816 . . . . 0.0 112.341 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -99.2 -178.08 3.81 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 126.685 1.994 . . . . 0.0 111.624 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -20.74 63.03 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -83.13 -9.39 59.22 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 129.086 2.954 . . . . 0.0 110.839 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.327 65.7 m-80 78.4 40.78 0.12 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 130.82 3.648 . . . . 0.0 111.949 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -123.67 150.38 44.32 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.25 2.22 . . . . 0.0 107.791 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.32 140.12 36.28 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.568 1.637 0 C-N-CA 126.827 2.051 . . . . 0.0 112.091 179.861 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.506 2.354 0 CA-C-O 121.165 0.507 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -149.26 167.36 26.26 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt . . . . . 0 C--N 1.35 0.598 0 C-N-CA 124.759 1.224 . . . . 0.0 107.992 176.7 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.283 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.7 141.3 30.89 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.069 2.147 . . . . 0.0 106.768 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -72.54 130.05 39.73 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -160.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 p -132.91 171.96 13.24 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 129.062 2.945 . . . . 0.0 110.491 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -107.78 131.68 54.2 Favored 'General case' 0 N--CA 1.427 -1.591 1 C-N-CA 133.83 4.852 . . . . 0.0 103.577 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -56.06 -34.64 66.11 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 118.573 2.805 . . . . 0.0 118.573 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -105.66 54.21 0.7 Allowed 'General case' 0 C--N 1.347 0.481 0 C-N-CA 129.559 3.144 . . . . 0.0 109.917 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -160.49 140.47 11.24 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -101.67 27.79 6.12 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 121.929 2.15 . . . . 0.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.91 59.98 5.16 Favored 'General case' 0 C--N 1.365 1.241 0 O-C-N 118.685 -2.51 . . . . 0.0 114.96 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.9 m -129.62 138.17 51.09 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 127.816 2.446 . . . . 0.0 104.831 173.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -80.36 -3.41 49.49 Favored 'General case' 0 C--N 1.366 1.314 0 O-C-N 120.357 -1.465 . . . . 0.0 114.859 -176.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 p -95.01 -8.35 37.09 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 128.995 2.918 . . . . 0.0 110.255 171.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 91.14 -4.83 0.24 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 129.179 2.992 . . . . 0.0 114.447 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -158.08 154.98 28.43 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.254 -2.154 . . . . 0.0 113.854 -175.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.9 t -97.16 158.12 15.6 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.47 3.108 . . . . 0.0 110.144 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.441 HD22 ' HB ' ' A' ' 27' ' ' VAL 0.258 4.6 p30 -114.46 171.24 7.75 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 124.592 1.157 . . . . 0.0 109.102 173.098 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -10.55 16.86 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 -172.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -97.27 7.43 46.58 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.032 1.333 . . . . 0.0 112.923 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 81.65 31.96 0.12 Allowed 'General case' 0 C--N 1.373 1.619 0 C-N-CA 128.603 2.761 . . . . 0.0 112.227 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -126.2 148.89 49.36 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.907 2.083 . . . . 0.0 110.751 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.26 127.67 33.68 Favored 'General case' 0 C--N 1.365 1.275 0 O-C-N 120.691 -1.255 . . . . 0.0 109.6 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' HB ' HD22 ' A' ' 21' ' ' ASN . 12.5 p . . . . . 0 C--N 1.353 0.742 0 O-C-N 121.314 -0.866 . . . . 0.0 110.522 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 120.645 0.259 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.89 142.44 27.46 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.288 1.035 . . . . 0.0 110.508 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 pt . . . . . 0 CA--C 1.55 0.979 0 C-N-CA 125.243 1.417 . . . . 0.0 113.255 -178.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 122.607 1.194 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.64 151.04 26.18 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 172.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -83.22 134.95 34.93 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.555 1.942 . . . . 0.0 113.726 -173.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.02 167.5 10.05 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 124.87 2.271 . . . . 0.0 113.337 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -113.84 119.8 38.54 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 100.508 -3.886 . . . . 0.0 100.508 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.305 46.6 mm-40 -59.32 -16.6 23.09 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 119.722 3.231 . . . . 0.0 119.722 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -80.97 -8.72 59.83 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.787 1.635 . . . . 0.0 113.147 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -94.06 91.86 7.05 Favored 'General case' 0 C--N 1.371 1.504 0 O-C-N 118.356 -2.715 . . . . 0.0 110.033 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -84.7 55.14 3.3 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 129.071 2.949 . . . . 0.0 112.02 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.251 13.3 p-10 -159.28 56.58 0.41 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 124.558 1.143 . . . . 0.0 112.809 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 65.6 m -93.6 138.17 32.12 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 167.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.317 0.8 OUTLIER -60.54 -30.37 69.72 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 119.037 2.977 . . . . 0.0 119.037 -174.37 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -92.86 -9.28 40.84 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.454 1.901 . . . . 0.0 111.459 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' NH2' ' H ' ' A' ' 15' ' ' CYS 0.386 0.2 OUTLIER 68.98 42.26 1.32 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 174.308 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -161.35 127.73 3.87 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.801 -1.187 . . . . 0.0 111.142 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.45 156.06 24.18 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -122.69 -167.78 1.63 Allowed 'General case' 0 C--N 1.359 0.998 0 CA-C-N 120.448 1.476 . . . . 0.0 113.793 -177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -15.91 60.99 Favored 'General case' 0 C--N 1.373 1.621 0 N-CA-C 117.451 2.389 . . . . 0.0 117.451 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -96.61 13.42 28.29 Favored 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.153 -0.967 . . . . 0.0 113.58 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.468 0.0 OUTLIER 73.36 5.95 5.08 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 130.918 3.687 . . . . 0.0 115.492 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.66 145.47 25.21 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.008 1.723 . . . . 0.0 110.189 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.99 131.92 35.63 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.102 1.361 . . . . 0.0 107.483 171.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.552 1.043 0 CA-C-O 125.021 2.343 . . . . 0.0 114.104 -168.83 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.54 140.95 31.97 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 125.616 1.567 . . . . 0.0 107.024 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.474 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.36 1.041 0 C-N-CA 125.423 1.489 . . . . 0.0 112.831 -175.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.329 76.7 m-20 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 117.518 2.414 . . . . 0.0 117.518 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -92.71 127.03 38.07 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.4 115.5 7.1 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -169.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.4 p -105.73 178.54 4.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.965 2.106 . . . . 0.0 113.049 -175.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -111.87 110.55 20.95 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 130.255 3.422 . . . . 0.0 102.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -39.29 -30.34 0.06 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 121.114 3.746 . . . . 0.0 121.114 -170.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -92.0 3.85 54.32 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 127.397 2.279 . . . . 0.0 113.806 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.84 107.15 17.9 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 120.052 -1.655 . . . . 0.0 109.496 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -71.44 -12.5 61.43 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.139 2.976 . . . . 0.0 118.235 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 54.47 2.1 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.7 m -99.37 140.25 33.83 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 103.531 -2.766 . . . . 0.0 103.531 171.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -8.29 56.76 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.786 -1.821 . . . . 0.0 115.208 -177.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.281 11.7 p -118.4 27.7 8.79 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.314 1.846 . . . . 0.0 109.52 172.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.35 0.0 OUTLIER 76.77 -35.68 0.24 Allowed 'General case' 0 C--N 1.367 1.345 0 C-N-CA 130.635 3.574 . . . . 0.0 117.601 172.507 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 152.34 39.8 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 117.873 2.546 . . . . 0.0 117.873 -172.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.0 m -86.79 146.6 26.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.428 2.691 . . . . 0.0 111.176 173.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.436 HD21 ' NZ ' ' A' ' 25' ' ' LYS . 31.1 p30 -93.22 -165.4 1.33 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.734 1.614 . . . . 0.0 110.891 177.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -24.72 45.36 Favored 'General case' 0 C--N 1.367 1.329 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -88.59 5.67 41.74 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.886 2.874 . . . . 0.0 114.09 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 m120 89.12 7.95 0.11 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 128.433 2.693 . . . . 0.0 113.939 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' HD21 ' A' ' 21' ' ' ASN . 9.1 mtmp? -100.91 142.38 32.47 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.71 1.141 . . . . 0.0 113.164 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -74.27 116.63 15.14 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 126.268 1.827 . . . . 0.0 107.158 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 122.685 1.231 . . . . 0.0 110.112 -174.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.507 2.422 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 9.4 mmt180 -131.81 170.67 14.52 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.735 1.614 . . . . 0.0 109.858 176.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 129.038 2.935 . . . . 0.0 112.229 178.196 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 121.294 0.568 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.82 140.79 35.64 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 105.067 -2.198 . . . . 0.0 105.067 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.11 142.08 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.415 2.005 . . . . 0.0 116.415 -170.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -142.83 -137.32 0.1 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.525 -1.359 . . . . 0.0 113.492 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -159.72 169.38 23.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.214 3.006 . . . . 0.0 104.507 -167.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -74.59 -14.92 60.84 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -136.99 39.9 2.53 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.936 1.294 . . . . 0.0 111.998 -172.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -139.46 127.52 22.36 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 119.882 -1.761 . . . . 0.0 109.484 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.14 42.77 1.08 Allowed 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.011 -1.68 . . . . 0.0 114.478 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.32 20.77 1.9 Allowed 'General case' 0 C--N 1.37 1.463 0 O-C-N 119.935 -1.728 . . . . 0.0 112.964 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.3 m -117.73 123.34 45.81 Favored 'General case' 0 CA--C 1.496 -1.117 0 C-N-CA 127.952 2.501 . . . . 0.0 105.327 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -76.38 -6.78 53.11 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -173.306 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -93.05 -13.06 29.1 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.205 3.402 . . . . 0.0 110.0 171.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.28 10.8 mmt180 71.38 37.66 1.14 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 130.366 3.466 . . . . 0.0 115.474 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -158.76 122.89 3.99 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.667 -1.271 . . . . 0.0 112.725 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.69 149.68 20.99 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 129.195 2.998 . . . . 0.0 106.861 165.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.73 -160.5 0.72 Allowed 'General case' 0 C--N 1.359 0.989 0 O-C-N 121.21 -0.931 . . . . 0.0 112.59 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -20.82 55.06 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 127.901 2.48 . . . . 0.0 115.676 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -83.88 -1.5 54.58 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 120.425 -1.422 . . . . 0.0 111.513 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 67.24 38.64 3.28 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 131.5 3.92 . . . . 0.0 113.097 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -124.64 146.61 49.0 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.33 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.1 m -69.56 124.1 23.03 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 125.323 1.449 . . . . 0.0 112.452 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 CA--C 1.555 1.156 0 CA-C-O 123.168 1.461 . . . . 0.0 111.646 -176.349 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -138.13 151.22 47.56 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.198 -1.564 . . . . 0.0 111.896 -177.372 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.433 -1.297 0 C-N-CA 130.379 3.472 . . . . 0.0 116.789 -171.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.265 72.7 m-80 . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.4 147.39 29.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 133.22 45.22 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.783 2.833 . . . . 0.0 115.44 -175.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -129.86 -140.18 0.23 Allowed 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.059 1.744 . . . . 0.0 113.113 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -156.41 142.85 18.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 129.953 3.301 . . . . 0.0 104.193 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -75.21 6.55 4.23 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -151.53 52.15 0.83 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.896 2.078 . . . . 0.0 108.136 -175.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -155.28 125.32 6.63 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.62 33.84 1.4 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.613 1.565 . . . . 0.0 113.154 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.76 7.45 26.8 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.523 -1.361 . . . . 0.0 114.593 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -95.5 137.11 35.02 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -17.63 60.91 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -172.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -82.74 -37.9 24.0 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 128.26 2.624 . . . . 0.0 110.184 171.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.335 8.1 mpt_? 88.46 43.44 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 C-N-CA 130.399 3.479 . . . . 0.0 111.332 177.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -160.08 133.66 7.04 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 m -102.19 169.73 8.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.869 2.068 . . . . 0.0 107.143 170.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -117.31 171.98 7.61 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.875 -1.766 . . . . 0.0 110.672 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -36.87 2.31 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 130.61 3.564 . . . . 0.0 119.466 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -78.4 -17.17 56.79 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.904 2.881 . . . . 0.0 114.76 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 t30 103.79 17.55 0.0 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.624 2.77 . . . . 0.0 110.482 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -108.61 144.68 36.01 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.131 1.772 . . . . 0.0 114.898 -173.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 m -73.48 102.1 3.71 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.938 2.895 . . . . 0.0 109.907 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.553 1.088 0 CA-C-O 125.059 2.362 . . . . 0.0 109.083 178.367 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.506 2.33 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.552 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.05 142.49 29.7 Favored 'General case' 0 C--N 1.367 1.343 0 CA-C-N 119.484 1.038 . . . . 0.0 112.65 175.603 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.9 pt . . . . . 0 C--N 1.356 0.873 0 C-N-CA 127.612 2.365 . . . . 0.0 116.699 -175.163 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 122.295 1.045 . . . . 0.0 113.281 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -101.11 145.38 28.84 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -77.84 127.26 32.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 126.394 1.878 . . . . 0.0 115.398 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -144.57 164.21 31.61 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 124.35 2.024 . . . . 0.0 114.256 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -111.51 141.92 44.46 Favored 'General case' 0 N--CA 1.437 -1.116 1 C-N-CA 132.988 4.515 . . . . 0.0 101.731 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -56.89 -42.79 80.47 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.869 2.467 . . . . 0.0 116.524 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -103.26 24.22 11.25 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 128.9 2.88 . . . . 0.0 113.16 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.98 -60.52 1.88 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-O 123.07 1.414 . . . . 0.0 112.213 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.52 147.37 33.05 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-O 126.812 3.196 . . . . 0.0 110.233 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.17 88.78 2.81 Favored 'General case' 0 N--CA 1.419 -1.989 2 C-N-CA 134.282 5.033 . . . . 0.0 105.836 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 m -68.58 135.43 51.49 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.462 1.905 . . . . 0.0 111.365 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.97 -5.98 30.02 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -174.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 p -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 129.496 3.119 . . . . 0.0 110.506 174.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.273 6.7 tpm_? 98.89 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.364 1.226 0 C-N-CA 129.923 3.289 . . . . 0.0 113.913 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -123.85 145.96 48.73 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -168.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.7 m -100.56 163.19 12.47 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 128.916 2.886 . . . . 0.0 104.058 163.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -131.02 178.33 6.76 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.17 -0.956 . . . . 0.0 109.501 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -4.59 42.87 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.94 -1.06 57.55 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 125.051 1.34 . . . . 0.0 112.93 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 81.83 40.03 0.05 Allowed 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.695 2.398 . . . . 0.0 112.023 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -145.14 149.05 34.31 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 121.052 -1.03 . . . . 0.0 111.86 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -76.06 125.83 29.85 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 129.081 2.952 . . . . 0.0 109.392 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 CA--C 1.565 1.538 0 C-N-CA 124.824 1.25 . . . . 0.0 113.818 -175.373 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.485 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -148.5 137.1 21.43 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 173.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 C--N 1.353 0.734 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -171.923 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.28 88.0 m-20 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.5 129.5 45.68 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 172.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.268 1.5 mptm? -57.19 126.98 29.67 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 121.293 3.812 . . . . 0.0 121.293 -162.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.75 -161.28 0.78 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.827 2.051 . . . . 0.0 113.342 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -153.52 145.72 23.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -69.67 -9.26 53.59 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -99.07 0.42 43.61 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.463 1.905 . . . . 0.0 114.254 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -116.87 108.99 16.51 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 118.656 -2.528 . . . . 0.0 111.577 -173.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -90.33 23.0 3.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.534 2.333 . . . . 0.0 113.219 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -102.06 57.95 0.82 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.11 1.764 . . . . 0.0 112.318 -176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 m -125.89 163.39 23.05 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.042 2.537 . . . . 0.0 108.142 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 36.71 1.82 Allowed 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.587 2.755 . . . . 0.0 112.159 -175.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -156.22 -55.53 0.09 Allowed 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 128.912 2.885 . . . . 0.0 107.221 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.425 41.0 mtt85 87.68 41.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.243 2.217 . . . . 0.0 115.688 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -152.71 133.07 13.65 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 170.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -105.73 165.68 11.0 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 128.649 2.78 . . . . 0.0 109.292 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -136.09 -179.32 5.59 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 121.147 -0.97 . . . . 0.0 110.565 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -10.39 51.82 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 120.215 3.413 . . . . 0.0 120.215 -173.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -96.25 4.23 52.51 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 120.94 -1.1 . . . . 0.0 111.226 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 70.0 m-20 68.92 42.0 1.39 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 129.226 3.01 . . . . 0.0 113.206 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -115.24 145.35 42.52 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 127.525 2.33 . . . . 0.0 108.213 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -90.03 135.93 33.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.084 1.754 . . . . 0.0 107.205 171.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 CA--C 1.564 1.515 0 CA-C-O 124.554 2.121 . . . . 0.0 112.491 -176.163 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -91.8 143.2 26.76 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 126.654 1.982 . . . . 0.0 111.198 176.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 pt . . . . . 0 C--N 1.365 1.277 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -179.824 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -122.94 148.38 45.54 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.277 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HD2' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -46.8 128.05 10.43 Favored 'General case' 0 CA--C 1.546 0.798 1 C-N-CA 134.3 5.04 . . . . 0.0 121.312 -173.593 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -140.31 -156.73 0.7 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.71 2.004 . . . . 0.0 114.795 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -140.17 128.55 22.65 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 129.924 3.29 . . . . 0.0 104.447 -174.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -46.98 -33.86 5.06 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 120.081 3.363 . . . . 0.0 120.081 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -96.89 7.27 47.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 127.953 2.501 . . . . 0.0 114.204 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -115.73 110.8 19.63 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 119.616 -1.927 . . . . 0.0 110.412 -178.114 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.64 42.44 1.09 Allowed 'General case' 0 C--N 1.369 1.443 0 O-C-N 118.521 -2.612 . . . . 0.0 111.064 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.91 35.77 1.81 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 130.39 3.476 . . . . 0.0 107.964 176.362 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.0 m -104.86 134.76 47.43 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 131.173 3.789 . . . . 0.0 104.469 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 m -80.28 61.82 4.21 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.256 179.152 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -167.12 -51.3 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 129.329 3.052 . . . . 0.0 108.793 -172.076 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 9.7 mmp_? 116.49 9.01 0.0 OUTLIER 'General case' 0 C--N 1.369 1.443 0 C-N-CA 129.837 3.255 . . . . 0.0 112.366 177.112 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -161.11 163.4 31.42 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 119.858 -1.776 . . . . 0.0 112.737 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.3 m -120.44 166.57 13.4 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 129.476 3.11 . . . . 0.0 109.157 179.066 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -126.32 -175.77 3.47 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.954 1.302 . . . . 0.0 112.414 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -20.56 65.1 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 129.108 2.963 . . . . 0.0 118.505 -176.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -97.98 1.49 47.95 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.114 1.366 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 81.8 m-20 68.41 44.91 1.23 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 129.709 3.203 . . . . 0.0 112.67 179.303 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -121.88 150.53 41.83 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.833 2.853 . . . . 0.0 107.605 178.164 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.3 m -80.74 138.22 36.3 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.341 2.656 . . . . 0.0 111.923 173.543 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 t . . . . . 0 CA--C 1.57 1.749 0 CA-C-O 123.971 1.843 . . . . 0.0 114.724 -174.44 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.273 86.9 mtm-85 -110.21 157.71 19.14 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 122.156 0.979 . . . . 0.0 111.427 174.542 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt . . . . . 0 C--N 1.356 0.855 0 C-N-CA 125.641 1.576 . . . . 0.0 112.304 -170.232 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.269 58.8 m-80 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.27 154.16 24.3 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 121.663 -0.648 . . . . 0.0 110.334 175.055 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -92.83 137.69 32.14 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 -163.534 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 p -122.68 -155.3 0.64 Allowed 'General case' 0 C--N 1.363 1.19 1 C-N-CA 131.717 4.007 . . . . 0.0 108.75 176.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 11' ' ' HIS 0.252 29.3 t80 -162.03 149.68 14.41 Favored 'General case' 0 N--CA 1.428 -1.556 1 N-CA-C 100.095 -4.039 . . . . 0.0 100.095 -174.695 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -71.92 2.72 5.13 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -176.574 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.5 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -90.55 -3.04 57.87 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.45 2.3 . . . . 0.0 113.589 172.154 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -132.22 124.86 29.79 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 120.447 -1.408 . . . . 0.0 113.326 -171.038 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.44 20.88 8.82 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 119.567 -1.958 . . . . 0.0 115.994 -177.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -103.01 52.51 0.78 Allowed 'General case' 0 C--N 1.357 0.896 0 O-C-N 119.321 -2.112 . . . . 0.0 114.395 -174.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.88 126.6 44.59 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 170.115 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.253 0.5 OUTLIER -76.03 16.89 0.38 Allowed 'General case' 0 C--N 1.36 1.064 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 -175.456 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -106.38 -21.55 13.06 Favored 'General case' 0 N--CA 1.439 -0.99 1 C-N-CA 131.836 4.055 . . . . 0.0 111.864 174.91 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.282 9.8 mmm180 91.76 7.49 0.06 Allowed 'General case' 0 C--N 1.371 1.524 0 C-N-CA 129.238 3.015 . . . . 0.0 111.38 -174.533 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -153.04 129.82 10.89 Favored 'General case' 0 C--N 1.368 1.391 0 O-C-N 119.811 -1.806 . . . . 0.0 113.05 -173.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 139.06 37.62 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 172.202 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -83.84 168.16 16.37 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 130.433 3.493 . . . . 0.0 111.374 -177.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -77.35 -24.87 50.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.536 1.934 . . . . 0.0 112.393 179.672 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -78.27 -4.21 46.75 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 130.336 3.454 . . . . 0.0 113.96 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.251 63.9 m-80 86.19 11.16 0.21 Allowed 'General case' 0 C--N 1.376 1.718 0 C-N-CA 127.783 2.433 . . . . 0.0 113.928 179.106 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.9 147.26 23.26 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.417 1.487 . . . . 0.0 111.567 178.71 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.11 111.1 17.93 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 167.483 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 CA--C 1.55 0.954 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.581 -168.748 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.508 2.465 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -90.2 146.33 24.34 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 109.839 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 pt -83.52 157.66 3.72 Favored 'Isoleucine or valine' 0 C--N 1.361 1.102 0 C-N-CA 126.393 1.877 . . . . 0.0 115.592 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.318 66.9 m-20 92.65 -8.48 0.18 Allowed 'General case' 0 C--N 1.351 0.671 0 C-N-CA 128.016 2.527 . . . . 0.0 115.472 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -93.39 158.59 15.65 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 124.698 1.199 . . . . 0.0 109.691 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 134.39 55.4 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 130.067 3.347 . . . . 0.0 118.728 -174.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -157.11 169.35 24.99 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 122.485 1.136 . . . . 0.0 112.738 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -113.06 126.55 55.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 129.224 3.01 . . . . 0.0 104.774 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 10' ' ' GLN 0.262 11.2 mp0 -59.3 -17.63 30.74 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -175.672 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.87 -2.55 34.04 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.999 1.719 . . . . 0.0 113.966 170.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tp -115.0 100.52 8.25 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.967 1.307 . . . . 0.0 108.164 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -71.25 -3.68 21.67 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -80.04 46.96 0.84 Allowed 'General case' 0 C--N 1.358 0.954 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.0 m -98.19 127.39 44.1 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 102.826 -3.027 . . . . 0.0 102.826 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.2 m -52.31 -22.83 4.91 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -176.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.6 p -97.03 -7.4 33.0 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 130.371 3.468 . . . . 0.0 113.938 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 103.79 -42.14 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.121 3.368 . . . . 0.0 114.719 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -120.98 136.87 54.88 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -167.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -95.7 149.24 21.7 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -117.5 -178.05 3.38 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.225 -1.547 . . . . 0.0 111.522 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -16.69 62.69 Favored 'General case' 0 C--N 1.369 1.426 0 N-CA-C 119.267 3.062 . . . . 0.0 119.267 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.48 6.41 37.87 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.461 0.1 OUTLIER 80.87 15.35 0.64 Allowed 'General case' 0 C--N 1.376 1.731 0 C-N-CA 131.697 3.999 . . . . 0.0 114.06 -179.385 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -114.97 149.15 37.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.552 -1.343 . . . . 0.0 111.555 -169.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.36 128.76 34.77 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.114 2.566 . . . . 0.0 107.22 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m -66.23 149.54 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.85 0 CA-C-O 127.463 3.506 . . . . 0.0 114.087 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.387 1 O-C-N 116.003 -4.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.506 2.353 0 CA-C-O 121.468 0.652 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -100.53 137.56 38.78 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.074 1.75 . . . . 0.0 107.917 168.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.491 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -93.2 175.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 126.873 2.069 . . . . 0.0 111.301 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 177.76 51.55 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 128.48 2.712 . . . . 0.0 105.992 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.79 152.2 40.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -100.16 124.2 45.29 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -170.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -128.53 158.08 39.41 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 128.892 2.877 . . . . 0.0 113.194 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -83.93 152.62 24.4 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.846 2.458 . . . . 0.0 108.784 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.21 -30.6 70.57 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -96.24 39.93 1.14 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.496 2.318 . . . . 0.0 112.311 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -125.63 124.25 40.78 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 127.274 2.23 . . . . 0.0 109.185 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -81.25 -23.54 37.93 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 125.841 1.657 . . . . 0.0 114.941 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -79.86 55.16 2.01 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.65 132.18 53.59 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 167.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.282 0.6 OUTLIER -66.17 -7.17 16.39 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 118.017 2.599 . . . . 0.0 118.017 -176.754 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.6 p -102.94 -14.97 16.3 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 129.176 2.991 . . . . 0.0 112.794 173.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.33 15.4 tpt85 111.88 -58.47 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 1 C-N-CA 131.872 4.069 . . . . 0.0 110.269 -177.013 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -116.65 152.84 33.41 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.335 1.454 . . . . 0.0 114.482 -170.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -85.76 170.63 12.27 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 130.837 3.655 . . . . 0.0 112.328 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -138.58 -169.17 2.55 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.396 -1.44 . . . . 0.0 111.733 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.43 36.92 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 129.46 3.104 . . . . 0.0 118.941 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -84.01 3.85 32.58 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.014 2.526 . . . . 0.0 114.259 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m120 75.08 9.12 3.96 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.273 3.029 . . . . 0.0 112.196 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -92.03 151.71 20.33 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.434 1.494 . . . . 0.0 112.337 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.43 94.83 3.72 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 128.602 2.761 . . . . 0.0 110.599 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.76 128.91 25.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 C-N-CA 124.701 1.201 . . . . 0.0 113.02 -171.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.515 0 O-C-N 118.999 -2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -79.06 149.38 32.15 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 128.171 2.589 . . . . 0.0 114.919 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -81.64 157.14 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 N-CA-C 116.417 2.006 . . . . 0.0 116.417 -179.767 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.339 80.8 m-20 78.8 26.69 0.47 Allowed 'General case' 0 C--N 1.366 1.315 0 C-N-CA 130.716 3.607 . . . . 0.0 111.499 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -108.53 168.35 9.39 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -93.06 137.66 32.21 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -165.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.26 -152.91 0.53 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.754 1.622 . . . . 0.0 111.296 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -151.88 141.85 22.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.75 -10.45 8.88 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 118.902 2.927 . . . . 0.0 118.902 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.67 -2.23 28.64 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.803 2.041 . . . . 0.0 114.713 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.07 159.89 23.07 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 122.079 2.218 . . . . 0.0 110.934 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -148.53 54.21 1.01 Allowed 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.396 -1.44 . . . . 0.0 110.305 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.49 47.21 1.02 Allowed 'General case' 0 C--N 1.373 1.592 0 O-C-N 119.246 -2.159 . . . . 0.0 108.768 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.6 m -116.16 141.51 48.05 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 129.126 2.97 . . . . 0.0 107.068 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.57 -18.12 64.89 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 128.393 2.677 . . . . 0.0 115.586 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -94.22 -30.73 14.43 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 127.044 2.138 . . . . 0.0 110.716 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 3.5 mpt_? 74.09 34.18 0.88 Allowed 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.733 2.413 . . . . 0.0 114.634 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -149.01 123.51 9.72 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.596 1.158 . . . . 0.0 108.553 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.88 150.15 22.2 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.852 2.061 . . . . 0.0 110.913 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.269 9.0 p30 -102.18 -178.54 3.73 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 120.734 -1.229 . . . . 0.0 108.74 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -10.18 56.92 Favored 'General case' 0 C--N 1.37 1.492 0 CA-C-N 121.569 1.986 . . . . 0.0 115.325 -172.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.53 -20.49 47.03 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.604 2.762 . . . . 0.0 113.378 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 94.57 48.36 0.0 OUTLIER 'General case' 0 C--N 1.369 1.423 0 C-N-CA 130.064 3.345 . . . . 0.0 109.615 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -140.51 142.52 35.23 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 127.164 2.186 . . . . 0.0 109.794 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.8 m -91.45 121.53 33.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.17 2.188 . . . . 0.0 109.096 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -95.93 150.82 4.14 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 C-N-CA 124.448 1.099 . . . . 0.0 110.499 -173.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.467 0 O-C-N 118.992 -2.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.512 2.665 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.23 147.69 22.68 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 125.796 1.638 . . . . 0.0 112.568 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -90.2 163.53 2.31 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -173.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.291 19.8 m-20 75.72 21.72 1.64 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 129.335 3.054 . . . . 0.0 114.989 176.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.17 153.96 23.02 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 61.1 mmtt -70.28 124.54 24.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 119.537 3.162 . . . . 0.0 119.537 -173.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.86 -148.34 0.42 Allowed 'General case' 0 C--N 1.371 1.525 0 C-N-CA 128.518 2.727 . . . . 0.0 108.58 175.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -163.0 158.25 21.95 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -66.8 -23.42 66.05 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -93.38 0.61 56.93 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 126.272 1.829 . . . . 0.0 113.328 173.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -126.42 62.11 1.29 Allowed 'General case' 0 C--N 1.362 1.119 0 CA-C-O 123.877 1.798 . . . . 0.0 106.768 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.05 8.16 0.45 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.594 3.158 . . . . 0.0 118.743 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -80.67 59.86 3.77 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.388 1.875 . . . . 0.0 113.435 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.81 133.7 46.14 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 129.233 3.013 . . . . 0.0 103.452 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -60.15 -20.96 60.89 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 127.573 2.349 . . . . 0.0 117.112 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -95.61 -11.2 27.65 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 129.908 3.283 . . . . 0.0 111.47 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.329 51.0 mtt85 69.71 34.68 2.61 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 129.452 3.101 . . . . 0.0 115.525 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -148.83 143.14 26.11 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 124.352 1.061 . . . . 0.0 109.804 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.6 m -117.26 154.97 30.28 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.038 2.535 . . . . 0.0 106.714 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.267 21.8 t-20 -95.1 -161.6 0.87 Allowed 'General case' 0 C--N 1.347 0.493 0 C-N-CA 128.523 2.729 . . . . 0.0 111.122 -172.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -31.13 11.86 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.447 2.299 . . . . 0.0 112.261 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -83.58 -7.07 59.59 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 129.074 2.95 . . . . 0.0 114.4 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.288 71.4 m-80 79.33 61.37 0.02 OUTLIER 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.179 2.992 . . . . 0.0 112.067 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 2.1 ttmp? -131.91 146.26 52.0 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 130.248 3.419 . . . . 0.0 106.761 -177.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 m -77.88 123.16 26.42 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 127.795 2.438 . . . . 0.0 108.741 170.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.43 110.51 8.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.763 -174.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.645 0 CA-C-N 121.838 2.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.435 ' HB3' ' HB3' ' A' ' 6' ' ' GLN . 71.4 mtm180 -110.02 138.91 45.73 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.516 1.526 . . . . 0.0 111.266 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 pt -85.95 176.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 127.055 2.142 . . . . 0.0 112.655 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 100.61 4.04 0.02 OUTLIER 'General case' 0 C--N 1.37 1.495 0 C-N-CA 131.135 3.774 . . . . 0.0 110.366 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 2' ' ' ARG . 1.6 tp-100 -94.35 141.67 28.3 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.638 1.175 . . . . 0.0 108.824 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -83.39 135.83 34.56 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 119.601 3.186 . . . . 0.0 119.601 -166.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.59 170.39 22.49 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.251 1.82 . . . . 0.0 113.721 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -107.41 158.38 17.22 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.728 3.211 . . . . 0.0 106.485 165.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.253 16.8 mp0 -69.46 -17.81 63.66 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 118.882 -2.386 . . . . 0.0 116.597 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -83.77 8.49 14.53 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 125.5 1.52 . . . . 0.0 113.565 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HB3' HH22 ' A' ' 2' ' ' ARG . 1.0 OUTLIER -124.28 116.63 22.96 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -91.37 5.79 47.91 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.834 1.254 . . . . 0.0 113.253 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.8 40.68 0.82 Allowed 'General case' 0 C--N 1.364 1.226 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -174.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.7 m -95.96 129.06 43.33 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.641 2.776 . . . . 0.0 106.933 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 0.85 28.36 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.229 -1.545 . . . . 0.0 114.547 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 p -113.75 9.85 17.77 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 131.164 3.786 . . . . 0.0 111.06 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.263 6.1 tpm_? 89.87 -45.81 0.02 OUTLIER 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.442 2.697 . . . . 0.0 114.093 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -139.09 160.02 40.78 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 120.514 -1.366 . . . . 0.0 113.91 -172.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -102.01 147.53 26.46 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.999 2.52 . . . . 0.0 110.713 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -117.36 166.25 12.53 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.101 -1.625 . . . . 0.0 113.196 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.0 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.364 1.231 0 C-N-CA 131.604 3.962 . . . . 0.0 121.039 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.9 -10.1 59.74 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.195 1.798 . . . . 0.0 114.935 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 98.07 25.58 0.01 OUTLIER 'General case' 0 C--N 1.377 1.795 0 C-N-CA 128.405 2.682 . . . . 0.0 110.502 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -123.05 139.29 54.23 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 m -68.64 123.35 20.65 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 128.82 2.848 . . . . 0.0 107.564 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -50.82 140.83 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 CA-C-O 126.604 3.097 . . . . 0.0 113.636 -172.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.304 0 O-C-N 117.339 -3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.509 2.514 0 CA-C-O 119.879 -0.105 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -148.62 149.88 32.29 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 102.23 -3.248 . . . . 0.0 102.23 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.0 pt -94.76 165.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.182 0 C-N-CA 125.337 1.455 . . . . 0.0 113.406 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.478 0.4 OUTLIER 74.28 23.2 2.09 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.591 2.756 . . . . 0.0 114.223 -177.694 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -115.52 151.21 35.27 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.453 1.501 . . . . 0.0 107.827 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.05 138.57 54.52 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.5 m -100.13 178.57 4.74 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.402 2.681 . . . . 0.0 111.163 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -119.56 104.64 10.47 Favored 'General case' 0 C--N 1.353 0.752 1 N-CA-C 97.841 -4.874 . . . . 0.0 97.841 164.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.339 21.2 mt-30 -50.03 -17.02 0.34 Allowed 'General case' 0 C--N 1.373 1.624 0 N-CA-C 121.607 3.929 . . . . 0.0 121.607 -166.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -83.08 -7.71 59.61 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.124 1.77 . . . . 0.0 114.008 170.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -104.32 137.35 42.35 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 119.977 -1.702 . . . . 0.0 111.005 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -107.21 25.32 11.54 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.371 -2.706 . . . . 0.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.08 48.72 1.15 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.628 2.371 . . . . 0.0 116.098 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.3 m -105.7 139.5 40.19 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -16.15 63.52 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -95.65 -6.49 39.94 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 129.754 3.222 . . . . 0.0 113.653 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 26.2 mmm180 76.01 26.49 1.0 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 128.027 2.531 . . . . 0.0 115.626 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -157.55 135.42 10.77 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 119.725 -1.86 . . . . 0.0 111.526 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -102.87 142.03 34.68 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 128.284 2.634 . . . . 0.0 104.045 167.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -85.71 -172.5 4.14 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 123.658 1.694 . . . . 0.0 111.53 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -36.53 73.15 Favored 'General case' 0 C--N 1.349 0.543 0 C-N-CA 127.589 2.356 . . . . 0.0 114.237 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -84.57 -21.35 30.45 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.875 2.07 . . . . 0.0 115.105 -172.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.374 0.0 OUTLIER 121.04 14.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.169 0 C-N-CA 131.564 3.946 . . . . 0.0 111.681 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -106.56 139.64 40.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.703 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.06 118.94 11.2 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.141 2.177 . . . . 0.0 111.425 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.99 113.07 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.535 -174.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.554 0 O-C-N 119.408 -2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -89.73 162.49 15.53 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-O 123.634 1.683 . . . . 0.0 113.032 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 pt -94.16 166.12 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 128.233 2.613 . . . . 0.0 109.238 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.281 61.1 m-80 94.11 4.02 0.05 OUTLIER 'General case' 0 C--N 1.371 1.508 0 C-N-CA 130.322 3.449 . . . . 0.0 114.019 -175.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.277 1.2 tp60 -99.44 139.67 34.75 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 20.5 mmtp -76.38 136.45 39.5 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 130.282 3.433 . . . . 0.0 115.715 -163.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.1 p -124.06 -139.98 0.3 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.972 2.509 . . . . 0.0 110.74 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -161.24 152.16 18.38 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 131.613 3.965 . . . . 0.0 102.535 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -71.29 -18.51 62.41 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -97.9 3.83 49.66 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.349 1.46 . . . . 0.0 114.256 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.63 121.17 39.52 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 119.804 -1.81 . . . . 0.0 112.944 -171.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -75.04 62.68 1.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.522 2.329 . . . . 0.0 112.659 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.11 41.78 1.79 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.751 1.62 . . . . 0.0 113.481 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.2 m -114.97 124.83 52.67 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.64 -3.91 37.16 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.922 -1.111 . . . . 0.0 113.929 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 p -105.03 -7.67 19.04 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 129.434 3.094 . . . . 0.0 111.261 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 1.0 OUTLIER 101.27 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.362 1.122 0 C-N-CA 129.544 3.138 . . . . 0.0 113.856 -178.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.11 162.44 34.19 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 119.337 -2.102 . . . . 0.0 115.497 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -98.25 164.77 12.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 129.647 3.179 . . . . 0.0 109.445 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.543 ' ND2' ' H ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -103.8 -148.2 0.39 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.486 1.514 . . . . 0.0 112.255 176.286 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -15.8 25.48 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.543 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 85.8 m-85 -100.32 8.67 43.54 Favored 'General case' 0 C--N 1.373 1.618 0 O-C-N 120.451 -1.406 . . . . 0.0 111.266 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 75.76 38.11 0.38 Allowed 'General case' 0 C--N 1.361 1.095 0 C-N-CA 129.929 3.292 . . . . 0.0 113.124 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -122.5 153.7 38.83 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.841 -1.162 . . . . 0.0 108.154 -178.406 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.23 118.98 19.52 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 126.294 1.837 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 p -88.07 136.82 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 124.548 1.139 . . . . 0.0 109.052 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.621 0 O-C-N 119.445 -2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 120.717 0.294 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -110.31 139.11 45.83 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 127.131 2.173 . . . . 0.0 107.88 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -101.91 164.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 126.799 2.039 . . . . 0.0 107.284 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -157.58 9.75 0.18 Allowed 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 126.103 1.761 . . . . 0.0 113.794 176.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -117.28 140.8 49.09 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 102.896 -3.001 . . . . 0.0 102.896 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.53 136.58 36.92 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.145 2.178 . . . . 0.0 114.447 -168.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.66 -163.43 1.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.892 1.677 . . . . 0.0 113.648 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.45 138.47 39.81 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 128.512 2.725 . . . . 0.0 104.093 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -59.38 -23.98 63.03 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.572 2.349 . . . . 0.0 116.583 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -102.01 7.87 41.15 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 126.855 2.062 . . . . 0.0 114.531 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -114.6 122.25 45.91 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 121.658 2.026 . . . . 0.0 114.005 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.39 67.05 0.7 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.301 2.64 . . . . 0.0 114.82 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -140.76 16.6 2.33 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 120.823 -1.173 . . . . 0.0 112.67 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.0 m -97.69 131.82 43.89 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 119.925 -1.734 . . . . 0.0 109.797 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.44 1.25 34.0 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.973 1.709 . . . . 0.0 114.685 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 p -110.46 1.55 18.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 129.555 3.142 . . . . 0.0 109.59 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.32 28.4 mmm180 91.31 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.146 2.579 . . . . 0.0 115.078 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -141.52 172.86 12.1 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.845 1.657 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 78.3 m -103.89 172.82 6.59 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.221 3.408 . . . . 0.0 110.472 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -133.8 179.96 5.91 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.325 1.45 . . . . 0.0 109.019 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -73.81 -3.84 31.08 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 -175.68 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -87.41 -8.62 56.33 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.83 2.452 . . . . 0.0 111.01 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.447 77.5 m-20 75.27 23.99 1.48 Allowed 'General case' 0 C--N 1.369 1.433 0 C-N-CA 131.431 3.892 . . . . 0.0 114.151 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -104.79 162.29 13.44 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 129.904 3.281 . . . . 0.0 107.93 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 68.5 m -69.85 149.89 47.39 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 129.009 2.924 . . . . 0.0 110.565 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.74 106.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.05 0 CA-C-O 126.244 2.926 . . . . 0.0 114.097 -175.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.559 0 O-C-N 116.889 -3.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 121.552 0.691 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.6 ttp-105 -97.86 155.5 17.03 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.726 2.81 . . . . 0.0 109.711 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt -106.61 162.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 O-C-N 120.435 -1.416 . . . . 0.0 113.419 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.506 0.1 OUTLIER 102.43 -21.23 0.02 OUTLIER 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.816 3.246 . . . . 0.0 112.735 -177.44 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -78.67 153.32 31.09 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 123.002 1.382 . . . . 0.0 111.837 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -76.87 137.24 39.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.28 2.232 . . . . 0.0 116.879 -173.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.0 171.93 15.58 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 124.266 1.984 . . . . 0.0 115.286 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -105.72 131.58 52.91 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 129.614 3.165 . . . . 0.0 107.974 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.257 18.9 mp0 -49.95 -29.74 9.0 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -87.09 4.68 41.17 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.961 1.304 . . . . 0.0 114.122 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.82 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.937 0 O-C-N 119.879 -1.763 . . . . 0.0 108.609 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.6 63.18 3.34 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 118.701 -2.499 . . . . 0.0 116.535 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -95.44 39.54 1.12 Allowed 'General case' 0 C--N 1.366 1.319 0 O-C-N 120.207 -1.558 . . . . 0.0 110.587 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.58 141.99 27.88 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 127.256 2.222 . . . . 0.0 106.218 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.295 0.5 OUTLIER -68.06 -8.78 40.73 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 176.667 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 p -98.2 -12.6 21.51 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 130.221 3.408 . . . . 0.0 111.563 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 66.9 mtt180 73.64 17.68 3.65 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 131.427 3.891 . . . . 0.0 118.966 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -151.56 144.07 24.21 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.489 2.404 . . . . 0.0 114.547 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.69 154.87 17.0 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.126 1.771 . . . . 0.0 109.195 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.293 38.1 t-20 -89.72 -164.11 1.11 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.737 3.215 . . . . 0.0 110.239 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.61 -28.8 12.68 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.194 -2.191 . . . . 0.0 110.544 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -80.99 8.22 8.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m120 81.02 32.98 0.12 Allowed 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.696 2.398 . . . . 0.0 113.977 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -124.37 148.06 47.78 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.363 1.865 . . . . 0.0 110.909 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.68 115.41 19.28 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.998 2.519 . . . . 0.0 105.969 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -93.71 145.74 7.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.772 0.796 . . . . 0.0 111.949 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.654 0 O-C-N 118.425 -2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.511 2.599 0 CA-C-O 120.522 0.201 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -100.39 131.94 46.04 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.172 1.389 . . . . 0.0 110.005 172.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.716 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -99.9 157.05 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 O-C-N 120.146 -1.596 . . . . 0.0 115.238 -172.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.274 74.6 m-20 82.23 13.49 0.53 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 130.436 3.495 . . . . 0.0 111.837 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -109.52 162.7 14.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 170.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -83.74 137.68 33.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.019 1.728 . . . . 0.0 113.097 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -125.42 -154.24 0.61 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.278 1.831 . . . . 0.0 109.345 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.68 149.17 28.13 Favored 'General case' 0 N--CA 1.438 -1.037 1 N-CA-C 100.017 -4.068 . . . . 0.0 100.017 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -87.45 -4.11 59.01 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 125.798 1.639 . . . . 0.0 114.044 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -110.94 116.3 30.98 Favored 'General case' 0 C--N 1.367 1.349 0 O-C-N 119.826 -1.796 . . . . 0.0 111.582 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -104.71 55.11 0.71 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 125.382 1.473 . . . . 0.0 109.926 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.47 38.8 3.57 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 125.357 1.463 . . . . 0.0 111.904 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.4 m -95.6 145.75 25.0 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 168.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -31.38 72.54 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.69 2.396 . . . . 0.0 117.056 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -99.96 -7.17 25.48 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.496 3.118 . . . . 0.0 112.171 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 73.73 36.83 0.72 Allowed 'General case' 0 C--N 1.362 1.139 0 N-CA-C 118.464 2.765 . . . . 0.0 118.464 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -154.07 129.86 10.11 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 118.429 -2.669 . . . . 0.0 113.922 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 m -105.83 142.86 34.84 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.167 2.187 . . . . 0.0 106.35 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.259 19.1 p30 -100.84 -149.67 0.38 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.044 -1.035 . . . . 0.0 111.796 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -34.36 33.88 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.981 1.712 . . . . 0.0 114.724 -176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -84.95 -7.35 59.19 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.649 1.58 . . . . 0.0 112.959 -173.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 81.67 24.49 0.24 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.953 3.301 . . . . 0.0 112.051 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -100.29 140.46 34.5 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.324 1.85 . . . . 0.0 107.356 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.28 144.53 28.04 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 111.985 178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.11 154.54 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 126.733 2.013 . . . . 0.0 109.186 -175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.56 0 O-C-N 116.511 -3.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.503 2.21 0 CA-C-O 120.581 0.229 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.86 144.61 28.71 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.528 1.531 . . . . 0.0 109.32 170.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.539 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -92.13 164.7 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 C-N-CA 126.289 1.835 . . . . 0.0 113.335 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 74.18 15.01 3.72 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 129.989 3.316 . . . . 0.0 112.614 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 150.31 29.54 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -72.81 123.85 24.2 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 125.401 1.481 . . . . 0.0 114.005 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 p -115.96 -144.26 0.38 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.03 2.132 . . . . 0.0 109.531 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -163.26 146.4 10.45 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 130.476 3.51 . . . . 0.0 103.68 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -66.46 -17.76 64.97 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -90.06 0.55 57.07 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 124.857 1.263 . . . . 0.0 113.456 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -110.64 94.97 5.27 Favored 'General case' 0 C--N 1.365 1.249 0 O-C-N 119.286 -2.134 . . . . 0.0 108.278 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.15 -2.33 58.55 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 120.37 -1.456 . . . . 0.0 113.771 -176.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.15 57.0 4.24 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 126.946 2.098 . . . . 0.0 113.513 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -100.9 143.46 31.02 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 172.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -86.91 1.94 50.93 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.552 1.141 . . . . 0.0 112.678 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -82.9 -53.48 5.82 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 130.35 3.46 . . . . 0.0 112.216 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.505 0.0 OUTLIER 136.17 -22.28 0.01 OUTLIER 'General case' 0 C--N 1.356 0.863 1 C-N-CA 132.056 4.142 . . . . 0.0 113.873 171.699 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.3 147.23 12.48 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.88 -1.137 . . . . 0.0 111.232 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -93.57 134.4 35.89 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 126.913 2.085 . . . . 0.0 109.64 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -99.48 176.16 5.6 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.88 -2.388 . . . . 0.0 115.475 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -30.48 -45.75 0.07 Allowed 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 131.588 3.955 . . . . 0.0 119.637 171.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -85.65 -5.47 59.26 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 127.277 2.231 . . . . 0.0 113.545 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 81.41 39.28 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.576 2.75 . . . . 0.0 110.445 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -120.69 139.91 52.37 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.332 1.853 . . . . 0.0 107.452 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.09 128.45 34.65 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 114.11 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -118.36 132.0 69.49 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.831 0 CA-C-O 125.004 2.335 . . . . 0.0 112.007 -174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.851 0 O-C-N 118.65 -2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.88 172.43 12.81 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 131.231 3.813 . . . . 0.0 102.067 171.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.415 ' HB ' HD22 ' A' ' 4' ' ' HYP . 21.8 pt -133.54 -178.59 2.74 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 127.125 2.17 . . . . 0.0 105.342 -173.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.568 ' HD1' ' N ' ' A' ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 77.58 18.46 1.31 Allowed 'General case' 0 C--N 1.371 1.532 0 C-N-CA 128.172 2.589 . . . . 0.0 114.938 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -99.53 148.59 24.11 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -82.22 137.63 34.85 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.69 1.596 . . . . 0.0 113.947 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.318 14.5 p -124.44 -144.73 0.33 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.125 1.37 . . . . 0.0 109.767 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -165.88 162.08 18.09 Favored 'General case' 0 N--CA 1.434 -1.259 2 N-CA-C 99.397 -4.297 . . . . 0.0 99.397 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -83.75 0.01 49.01 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -103.11 9.64 38.31 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.357 1.463 . . . . 0.0 113.007 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.93 116.69 32.08 Favored 'General case' 0 C--N 1.369 1.444 0 O-C-N 119.494 -2.004 . . . . 0.0 109.021 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -89.52 -19.72 24.69 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 124.565 1.146 . . . . 0.0 112.808 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.33 56.72 2.16 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 119.177 3.028 . . . . 0.0 119.177 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -98.63 139.35 34.48 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 167.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.259 1.1 m -68.48 -12.86 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 117.736 -3.102 . . . . 0.0 116.416 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -91.77 -12.76 32.95 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 129.22 3.008 . . . . 0.0 111.575 170.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 66.6 mmt-85 56.06 42.61 28.23 Favored 'General case' 0 C--N 1.371 1.517 1 C-N-CA 134.134 4.974 . . . . 0.0 115.01 179.367 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -143.67 94.11 2.56 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 124.793 1.237 . . . . 0.0 113.634 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -84.62 163.97 18.96 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 119.836 -1.79 . . . . 0.0 111.631 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -133.48 171.12 14.52 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 125.616 1.566 . . . . 0.0 108.747 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.35 11.23 10.65 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -92.26 -8.05 46.36 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.585 -1.322 . . . . 0.0 110.044 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.446 0.2 OUTLIER 87.95 24.84 0.04 OUTLIER 'General case' 0 C--N 1.369 1.436 0 C-N-CA 129.769 3.228 . . . . 0.0 112.668 -178.778 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.49 143.65 50.54 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 120.376 -1.453 . . . . 0.0 109.775 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -77.87 124.49 28.05 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.899 2.48 . . . . 0.0 110.027 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.9 t -70.51 131.44 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 124.172 0.989 . . . . 0.0 110.125 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . 0.568 ' N ' ' HD1' ' A' ' 4' ' ' HYP . . . . . . . . 0 C--N 1.347 0.491 0 O-C-N 119.136 -2.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -102.14 134.08 45.96 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 123.328 1.537 . . . . 0.0 110.218 172.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -87.16 170.43 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 125.431 1.492 . . . . 0.0 112.163 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.552 0.0 OUTLIER 93.46 2.87 0.06 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 130.267 3.427 . . . . 0.0 113.169 -174.048 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -85.91 143.9 27.96 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-O 123.088 1.423 . . . . 0.0 107.965 167.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -81.6 145.71 30.48 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.485 2.714 . . . . 0.0 117.63 -167.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 p -151.2 -137.35 0.08 Allowed 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.006 1.722 . . . . 0.0 112.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.83 174.48 10.58 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 100.204 -3.998 . . . . 0.0 100.204 -171.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -75.18 -32.03 61.13 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-N 122.178 2.263 . . . . 0.0 115.949 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -99.64 24.06 8.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.844 1.658 . . . . 0.0 112.974 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.65 44.78 2.06 Favored 'General case' 0 C--N 1.362 1.112 0 CA-C-O 122.243 1.02 . . . . 0.0 110.795 -175.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -82.04 63.03 6.08 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 120.278 -1.514 . . . . 0.0 114.954 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -89.25 51.34 2.11 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.119 -1.613 . . . . 0.0 109.627 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.25 152.35 27.25 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 127.774 2.43 . . . . 0.0 114.084 -172.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.97 54.15 2.34 Favored 'General case' 0 C--N 1.344 0.367 1 C-N-CA 131.744 4.018 . . . . 0.0 109.681 -177.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 p -176.36 -49.54 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 130.634 3.574 . . . . 0.0 106.899 -172.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.26 1.5 tpp180 88.87 35.68 0.02 OUTLIER 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.378 2.271 . . . . 0.0 115.848 168.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -161.32 132.8 5.51 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.192 -0.942 . . . . 0.0 111.113 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.58 150.13 22.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 126.241 1.816 . . . . 0.0 112.341 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -99.2 -178.08 3.81 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 126.685 1.994 . . . . 0.0 111.624 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -20.74 63.03 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -83.13 -9.39 59.22 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 129.086 2.954 . . . . 0.0 110.839 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.327 65.7 m-80 78.4 40.78 0.12 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 130.82 3.648 . . . . 0.0 111.949 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -123.67 150.38 44.32 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.25 2.22 . . . . 0.0 107.791 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.32 140.12 36.28 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.4 146.16 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 C-N-CA 126.827 2.051 . . . . 0.0 112.091 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.765 0 O-C-N 118.901 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.506 2.354 0 CA-C-O 121.165 0.507 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -149.26 167.36 26.26 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -101.59 159.42 4.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 124.759 1.224 . . . . 0.0 107.992 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.283 0.8 OUTLIER 90.01 2.42 0.19 Allowed 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.353 1.861 . . . . 0.0 114.443 -172.288 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.7 141.3 30.89 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.069 2.147 . . . . 0.0 106.768 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -72.54 130.05 39.73 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -160.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 p -132.91 171.96 13.24 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 129.062 2.945 . . . . 0.0 110.491 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -107.78 131.68 54.2 Favored 'General case' 0 N--CA 1.427 -1.591 1 C-N-CA 133.83 4.852 . . . . 0.0 103.577 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -56.06 -34.64 66.11 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 118.573 2.805 . . . . 0.0 118.573 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -105.66 54.21 0.7 Allowed 'General case' 0 C--N 1.347 0.481 0 C-N-CA 129.559 3.144 . . . . 0.0 109.917 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -160.49 140.47 11.24 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -101.67 27.79 6.12 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 121.929 2.15 . . . . 0.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.91 59.98 5.16 Favored 'General case' 0 C--N 1.365 1.241 0 O-C-N 118.685 -2.51 . . . . 0.0 114.96 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.9 m -129.62 138.17 51.09 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 127.816 2.446 . . . . 0.0 104.831 173.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -80.36 -3.41 49.49 Favored 'General case' 0 C--N 1.366 1.314 0 O-C-N 120.357 -1.465 . . . . 0.0 114.859 -176.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 p -95.01 -8.35 37.09 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 128.995 2.918 . . . . 0.0 110.255 171.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 91.14 -4.83 0.24 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 129.179 2.992 . . . . 0.0 114.447 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -158.08 154.98 28.43 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.254 -2.154 . . . . 0.0 113.854 -175.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.9 t -97.16 158.12 15.6 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.47 3.108 . . . . 0.0 110.144 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.441 HD22 ' HB ' ' A' ' 27' ' ' VAL 0.258 4.6 p30 -114.46 171.24 7.75 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 124.592 1.157 . . . . 0.0 109.102 173.098 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -10.55 16.86 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 -172.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -97.27 7.43 46.58 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.032 1.333 . . . . 0.0 112.923 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 81.65 31.96 0.12 Allowed 'General case' 0 C--N 1.373 1.619 0 C-N-CA 128.603 2.761 . . . . 0.0 112.227 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -126.2 148.89 49.36 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.907 2.083 . . . . 0.0 110.751 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.26 127.67 33.68 Favored 'General case' 0 C--N 1.365 1.275 0 O-C-N 120.691 -1.255 . . . . 0.0 109.6 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' HB ' HD22 ' A' ' 21' ' ' ASN . 12.5 p -91.26 137.11 22.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 121.314 -0.866 . . . . 0.0 110.522 -172.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.58 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 120.645 0.259 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.89 142.44 27.46 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.288 1.035 . . . . 0.0 110.508 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 pt -85.85 154.26 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 125.243 1.417 . . . . 0.0 113.255 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 82.0 20.07 0.33 Allowed 'General case' 0 C--N 1.377 1.765 0 C-N-CA 130.313 3.445 . . . . 0.0 111.618 -175.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.64 151.04 26.18 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 172.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -83.22 134.95 34.93 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.555 1.942 . . . . 0.0 113.726 -173.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.02 167.5 10.05 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 124.87 2.271 . . . . 0.0 113.337 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -113.84 119.8 38.54 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 100.508 -3.886 . . . . 0.0 100.508 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.305 46.6 mm-40 -59.32 -16.6 23.09 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 119.722 3.231 . . . . 0.0 119.722 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -80.97 -8.72 59.83 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.787 1.635 . . . . 0.0 113.147 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -94.06 91.86 7.05 Favored 'General case' 0 C--N 1.371 1.504 0 O-C-N 118.356 -2.715 . . . . 0.0 110.033 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -84.7 55.14 3.3 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 129.071 2.949 . . . . 0.0 112.02 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.251 13.3 p-10 -159.28 56.58 0.41 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 124.558 1.143 . . . . 0.0 112.809 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 65.6 m -93.6 138.17 32.12 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 167.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.317 0.8 OUTLIER -60.54 -30.37 69.72 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 119.037 2.977 . . . . 0.0 119.037 -174.37 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -92.86 -9.28 40.84 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.454 1.901 . . . . 0.0 111.459 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' NH2' ' H ' ' A' ' 15' ' ' CYS 0.386 0.2 OUTLIER 68.98 42.26 1.32 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 174.308 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -161.35 127.73 3.87 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.801 -1.187 . . . . 0.0 111.142 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.45 156.06 24.18 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -122.69 -167.78 1.63 Allowed 'General case' 0 C--N 1.359 0.998 0 CA-C-N 120.448 1.476 . . . . 0.0 113.793 -177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -15.91 60.99 Favored 'General case' 0 C--N 1.373 1.621 0 N-CA-C 117.451 2.389 . . . . 0.0 117.451 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -96.61 13.42 28.29 Favored 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.153 -0.967 . . . . 0.0 113.58 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.468 0.0 OUTLIER 73.36 5.95 5.08 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 130.918 3.687 . . . . 0.0 115.492 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.66 145.47 25.21 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.008 1.723 . . . . 0.0 110.189 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.99 131.92 35.63 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.102 1.361 . . . . 0.0 107.483 171.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.7 t -78.36 119.89 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 CA-C-O 125.021 2.343 . . . . 0.0 114.104 -168.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.382 0 O-C-N 117.733 -3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.54 140.95 31.97 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 125.616 1.567 . . . . 0.0 107.024 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -90.08 157.86 2.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 C-N-CA 125.423 1.489 . . . . 0.0 112.831 -175.517 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.329 76.7 m-20 70.77 9.91 6.93 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 128.683 2.793 . . . . 0.0 117.518 -174.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -92.71 127.03 38.07 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.4 115.5 7.1 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -169.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.4 p -105.73 178.54 4.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.965 2.106 . . . . 0.0 113.049 -175.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -111.87 110.55 20.95 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 130.255 3.422 . . . . 0.0 102.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -39.29 -30.34 0.06 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 121.114 3.746 . . . . 0.0 121.114 -170.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -92.0 3.85 54.32 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 127.397 2.279 . . . . 0.0 113.806 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.84 107.15 17.9 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 120.052 -1.655 . . . . 0.0 109.496 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -71.44 -12.5 61.43 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.139 2.976 . . . . 0.0 118.235 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 54.47 2.1 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.7 m -99.37 140.25 33.83 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 103.531 -2.766 . . . . 0.0 103.531 171.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -8.29 56.76 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.786 -1.821 . . . . 0.0 115.208 -177.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.281 11.7 p -118.4 27.7 8.79 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.314 1.846 . . . . 0.0 109.52 172.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.35 0.0 OUTLIER 76.77 -35.68 0.24 Allowed 'General case' 0 C--N 1.367 1.345 0 C-N-CA 130.635 3.574 . . . . 0.0 117.601 172.507 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 152.34 39.8 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 117.873 2.546 . . . . 0.0 117.873 -172.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.0 m -86.79 146.6 26.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.428 2.691 . . . . 0.0 111.176 173.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.436 HD21 ' NZ ' ' A' ' 25' ' ' LYS . 31.1 p30 -93.22 -165.4 1.33 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.734 1.614 . . . . 0.0 110.891 177.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -24.72 45.36 Favored 'General case' 0 C--N 1.367 1.329 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -88.59 5.67 41.74 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.886 2.874 . . . . 0.0 114.09 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 m120 89.12 7.95 0.11 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 128.433 2.693 . . . . 0.0 113.939 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' HD21 ' A' ' 21' ' ' ASN . 9.1 mtmp? -100.91 142.38 32.47 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.71 1.141 . . . . 0.0 113.164 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -74.27 116.63 15.14 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 126.268 1.827 . . . . 0.0 107.158 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.46 131.54 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 122.685 1.231 . . . . 0.0 110.112 -174.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.67 0 O-C-N 119.055 -2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.507 2.422 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 9.4 mmt180 -131.81 170.67 14.52 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.735 1.614 . . . . 0.0 109.858 176.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -86.1 168.12 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 129.038 2.935 . . . . 0.0 112.229 178.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 84.38 19.5 0.15 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 128.011 2.524 . . . . 0.0 111.97 -172.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.82 140.79 35.64 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 105.067 -2.198 . . . . 0.0 105.067 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.11 142.08 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.415 2.005 . . . . 0.0 116.415 -170.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -142.83 -137.32 0.1 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.525 -1.359 . . . . 0.0 113.492 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -159.72 169.38 23.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.214 3.006 . . . . 0.0 104.507 -167.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -74.59 -14.92 60.84 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -136.99 39.9 2.53 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.936 1.294 . . . . 0.0 111.998 -172.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -139.46 127.52 22.36 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 119.882 -1.761 . . . . 0.0 109.484 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.14 42.77 1.08 Allowed 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.011 -1.68 . . . . 0.0 114.478 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.32 20.77 1.9 Allowed 'General case' 0 C--N 1.37 1.463 0 O-C-N 119.935 -1.728 . . . . 0.0 112.964 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.3 m -117.73 123.34 45.81 Favored 'General case' 0 CA--C 1.496 -1.117 0 C-N-CA 127.952 2.501 . . . . 0.0 105.327 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -76.38 -6.78 53.11 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -173.306 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -93.05 -13.06 29.1 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.205 3.402 . . . . 0.0 110.0 171.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.28 10.8 mmt180 71.38 37.66 1.14 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 130.366 3.466 . . . . 0.0 115.474 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -158.76 122.89 3.99 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.667 -1.271 . . . . 0.0 112.725 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.69 149.68 20.99 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 129.195 2.998 . . . . 0.0 106.861 165.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.73 -160.5 0.72 Allowed 'General case' 0 C--N 1.359 0.989 0 O-C-N 121.21 -0.931 . . . . 0.0 112.59 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -20.82 55.06 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 127.901 2.48 . . . . 0.0 115.676 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -83.88 -1.5 54.58 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 120.425 -1.422 . . . . 0.0 111.513 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 67.24 38.64 3.28 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 131.5 3.92 . . . . 0.0 113.097 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -124.64 146.61 49.0 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.33 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.1 m -69.56 124.1 23.03 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 125.323 1.449 . . . . 0.0 112.452 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.87 141.84 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 CA-C-O 123.168 1.461 . . . . 0.0 111.646 -176.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.452 0 O-C-N 117.864 -3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -138.13 151.22 47.56 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.198 -1.564 . . . . 0.0 111.896 -177.372 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -81.55 163.32 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 C-N-CA 130.379 3.472 . . . . 0.0 116.789 -171.401 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.419 HD23 ' HA ' ' A' ' 3' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.265 72.7 m-80 82.39 26.29 0.16 Allowed 'General case' 0 C--N 1.359 1.019 0 C-N-CA 127.311 2.244 . . . . 0.0 113.614 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.4 147.39 29.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 133.22 45.22 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.783 2.833 . . . . 0.0 115.44 -175.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -129.86 -140.18 0.23 Allowed 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.059 1.744 . . . . 0.0 113.113 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -156.41 142.85 18.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 129.953 3.301 . . . . 0.0 104.193 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -75.21 6.55 4.23 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -151.53 52.15 0.83 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.896 2.078 . . . . 0.0 108.136 -175.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -155.28 125.32 6.63 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.62 33.84 1.4 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.613 1.565 . . . . 0.0 113.154 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.76 7.45 26.8 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.523 -1.361 . . . . 0.0 114.593 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -95.5 137.11 35.02 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -17.63 60.91 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -172.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -82.74 -37.9 24.0 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 128.26 2.624 . . . . 0.0 110.184 171.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.335 8.1 mpt_? 88.46 43.44 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 C-N-CA 130.399 3.479 . . . . 0.0 111.332 177.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -160.08 133.66 7.04 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 m -102.19 169.73 8.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.869 2.068 . . . . 0.0 107.143 170.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -117.31 171.98 7.61 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.875 -1.766 . . . . 0.0 110.672 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -36.87 2.31 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 130.61 3.564 . . . . 0.0 119.466 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -78.4 -17.17 56.79 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.904 2.881 . . . . 0.0 114.76 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 t30 103.79 17.55 0.0 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.624 2.77 . . . . 0.0 110.482 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -108.61 144.68 36.01 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.131 1.772 . . . . 0.0 114.898 -173.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 m -73.48 102.1 3.71 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.938 2.895 . . . . 0.0 109.907 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p -74.31 109.43 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 CA-C-O 125.059 2.362 . . . . 0.0 109.083 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.465 0 O-C-N 117.965 -2.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.506 2.33 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.552 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.05 142.49 29.7 Favored 'General case' 0 C--N 1.367 1.343 0 CA-C-N 119.484 1.038 . . . . 0.0 112.65 175.603 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.9 pt -84.54 158.95 3.5 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 C-N-CA 127.612 2.365 . . . . 0.0 116.699 -175.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 76.23 20.95 1.52 Allowed 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.45 2.3 . . . . 0.0 113.281 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -101.11 145.38 28.84 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -77.84 127.26 32.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 126.394 1.878 . . . . 0.0 115.398 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -144.57 164.21 31.61 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 124.35 2.024 . . . . 0.0 114.256 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -111.51 141.92 44.46 Favored 'General case' 0 N--CA 1.437 -1.116 1 C-N-CA 132.988 4.515 . . . . 0.0 101.731 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -56.89 -42.79 80.47 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.869 2.467 . . . . 0.0 116.524 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -103.26 24.22 11.25 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 128.9 2.88 . . . . 0.0 113.16 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.98 -60.52 1.88 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-O 123.07 1.414 . . . . 0.0 112.213 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.52 147.37 33.05 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-O 126.812 3.196 . . . . 0.0 110.233 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.17 88.78 2.81 Favored 'General case' 0 N--CA 1.419 -1.989 2 C-N-CA 134.282 5.033 . . . . 0.0 105.836 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 m -68.58 135.43 51.49 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.462 1.905 . . . . 0.0 111.365 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.97 -5.98 30.02 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -174.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 p -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 129.496 3.119 . . . . 0.0 110.506 174.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.273 6.7 tpm_? 98.89 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.364 1.226 0 C-N-CA 129.923 3.289 . . . . 0.0 113.913 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -123.85 145.96 48.73 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -168.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.7 m -100.56 163.19 12.47 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 128.916 2.886 . . . . 0.0 104.058 163.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -131.02 178.33 6.76 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.17 -0.956 . . . . 0.0 109.501 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -4.59 42.87 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.94 -1.06 57.55 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 125.051 1.34 . . . . 0.0 112.93 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 81.83 40.03 0.05 Allowed 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.695 2.398 . . . . 0.0 112.023 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -145.14 149.05 34.31 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 121.052 -1.03 . . . . 0.0 111.86 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -76.06 125.83 29.85 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 129.081 2.952 . . . . 0.0 109.392 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.01 104.4 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.824 1.25 . . . . 0.0 113.818 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.566 0 O-C-N 118.252 -2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.485 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -148.5 137.1 21.43 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 173.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.6 pt -87.17 167.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -171.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.28 88.0 m-20 68.74 8.57 6.84 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 128.131 2.573 . . . . 0.0 117.658 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.5 129.5 45.68 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 172.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.268 1.5 mptm? -57.19 126.98 29.67 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 121.293 3.812 . . . . 0.0 121.293 -162.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.75 -161.28 0.78 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.827 2.051 . . . . 0.0 113.342 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -153.52 145.72 23.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -69.67 -9.26 53.59 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -99.07 0.42 43.61 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.463 1.905 . . . . 0.0 114.254 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -116.87 108.99 16.51 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 118.656 -2.528 . . . . 0.0 111.577 -173.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -90.33 23.0 3.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.534 2.333 . . . . 0.0 113.219 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -102.06 57.95 0.82 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.11 1.764 . . . . 0.0 112.318 -176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 m -125.89 163.39 23.05 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.042 2.537 . . . . 0.0 108.142 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 36.71 1.82 Allowed 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.587 2.755 . . . . 0.0 112.159 -175.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -156.22 -55.53 0.09 Allowed 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 128.912 2.885 . . . . 0.0 107.221 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.425 41.0 mtt85 87.68 41.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.243 2.217 . . . . 0.0 115.688 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -152.71 133.07 13.65 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 170.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -105.73 165.68 11.0 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 128.649 2.78 . . . . 0.0 109.292 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -136.09 -179.32 5.59 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 121.147 -0.97 . . . . 0.0 110.565 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -10.39 51.82 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 120.215 3.413 . . . . 0.0 120.215 -173.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -96.25 4.23 52.51 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 120.94 -1.1 . . . . 0.0 111.226 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 70.0 m-20 68.92 42.0 1.39 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 129.226 3.01 . . . . 0.0 113.206 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -115.24 145.35 42.52 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 127.525 2.33 . . . . 0.0 108.213 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -90.03 135.93 33.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.084 1.754 . . . . 0.0 107.205 171.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.46 161.65 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 CA-C-O 124.554 2.121 . . . . 0.0 112.491 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.482 0 O-C-N 118.42 -2.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -91.8 143.2 26.76 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 126.654 1.982 . . . . 0.0 111.198 176.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 pt -76.11 154.74 5.93 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t30 86.01 24.35 0.07 Allowed 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.895 2.878 . . . . 0.0 113.262 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -122.94 148.38 45.54 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.277 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HD2' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -46.8 128.05 10.43 Favored 'General case' 0 CA--C 1.546 0.798 1 C-N-CA 134.3 5.04 . . . . 0.0 121.312 -173.593 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -140.31 -156.73 0.7 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.71 2.004 . . . . 0.0 114.795 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -140.17 128.55 22.65 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 129.924 3.29 . . . . 0.0 104.447 -174.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -46.98 -33.86 5.06 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 120.081 3.363 . . . . 0.0 120.081 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -96.89 7.27 47.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 127.953 2.501 . . . . 0.0 114.204 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -115.73 110.8 19.63 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 119.616 -1.927 . . . . 0.0 110.412 -178.114 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.64 42.44 1.09 Allowed 'General case' 0 C--N 1.369 1.443 0 O-C-N 118.521 -2.612 . . . . 0.0 111.064 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.91 35.77 1.81 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 130.39 3.476 . . . . 0.0 107.964 176.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.0 m -104.86 134.76 47.43 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 131.173 3.789 . . . . 0.0 104.469 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 m -80.28 61.82 4.21 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.256 179.152 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -167.12 -51.3 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 129.329 3.052 . . . . 0.0 108.793 -172.076 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 9.7 mmp_? 116.49 9.01 0.0 OUTLIER 'General case' 0 C--N 1.369 1.443 0 C-N-CA 129.837 3.255 . . . . 0.0 112.366 177.112 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -161.11 163.4 31.42 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 119.858 -1.776 . . . . 0.0 112.737 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.3 m -120.44 166.57 13.4 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 129.476 3.11 . . . . 0.0 109.157 179.066 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -126.32 -175.77 3.47 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.954 1.302 . . . . 0.0 112.414 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -20.56 65.1 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 129.108 2.963 . . . . 0.0 118.505 -176.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -97.98 1.49 47.95 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.114 1.366 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 81.8 m-20 68.41 44.91 1.23 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 129.709 3.203 . . . . 0.0 112.67 179.303 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -121.88 150.53 41.83 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.833 2.853 . . . . 0.0 107.605 178.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.3 m -80.74 138.22 36.3 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.341 2.656 . . . . 0.0 111.923 173.543 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 t -89.47 78.19 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 CA-C-O 123.971 1.843 . . . . 0.0 114.724 -174.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.528 0 O-C-N 117.916 -2.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.273 86.9 mtm-85 -110.21 157.71 19.14 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 122.156 0.979 . . . . 0.0 111.427 174.542 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt -95.52 167.78 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 125.641 1.576 . . . . 0.0 112.304 -170.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.269 58.8 m-80 96.92 -12.36 0.08 Allowed 'General case' 0 C--N 1.373 1.616 0 C-N-CA 130.574 3.549 . . . . 0.0 112.654 -176.05 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.27 154.16 24.3 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 121.663 -0.648 . . . . 0.0 110.334 175.055 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -92.83 137.69 32.14 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 -163.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 p -122.68 -155.3 0.64 Allowed 'General case' 0 C--N 1.363 1.19 1 C-N-CA 131.717 4.007 . . . . 0.0 108.75 176.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 11' ' ' HIS 0.252 29.3 t80 -162.03 149.68 14.41 Favored 'General case' 0 N--CA 1.428 -1.556 1 N-CA-C 100.095 -4.039 . . . . 0.0 100.095 -174.695 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -71.92 2.72 5.13 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -176.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.5 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -90.55 -3.04 57.87 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.45 2.3 . . . . 0.0 113.589 172.154 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -132.22 124.86 29.79 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 120.447 -1.408 . . . . 0.0 113.326 -171.038 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.44 20.88 8.82 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 119.567 -1.958 . . . . 0.0 115.994 -177.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -103.01 52.51 0.78 Allowed 'General case' 0 C--N 1.357 0.896 0 O-C-N 119.321 -2.112 . . . . 0.0 114.395 -174.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.88 126.6 44.59 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 170.115 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.253 0.5 OUTLIER -76.03 16.89 0.38 Allowed 'General case' 0 C--N 1.36 1.064 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 -175.456 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -106.38 -21.55 13.06 Favored 'General case' 0 N--CA 1.439 -0.99 1 C-N-CA 131.836 4.055 . . . . 0.0 111.864 174.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.282 9.8 mmm180 91.76 7.49 0.06 Allowed 'General case' 0 C--N 1.371 1.524 0 C-N-CA 129.238 3.015 . . . . 0.0 111.38 -174.533 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -153.04 129.82 10.89 Favored 'General case' 0 C--N 1.368 1.391 0 O-C-N 119.811 -1.806 . . . . 0.0 113.05 -173.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 139.06 37.62 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 172.202 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -83.84 168.16 16.37 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 130.433 3.493 . . . . 0.0 111.374 -177.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -77.35 -24.87 50.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.536 1.934 . . . . 0.0 112.393 179.672 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -78.27 -4.21 46.75 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 130.336 3.454 . . . . 0.0 113.96 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.251 63.9 m-80 86.19 11.16 0.21 Allowed 'General case' 0 C--N 1.376 1.718 0 C-N-CA 127.783 2.433 . . . . 0.0 113.928 179.106 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.9 147.26 23.26 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.417 1.487 . . . . 0.0 111.567 178.71 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.11 111.1 17.93 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 167.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p -94.0 137.01 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.581 -168.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.635 0 CA-C-N 121.622 2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.508 2.465 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -90.2 146.33 24.34 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 109.839 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 pt . . . . . 0 C--N 1.361 1.102 0 C-N-CA 126.393 1.877 . . . . 0.0 115.592 -177.144 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.318 66.9 m-20 . . . . . 0 CA--C 1.525 0.016 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -93.39 158.59 15.65 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 124.698 1.199 . . . . 0.0 109.691 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 134.39 55.4 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 130.067 3.347 . . . . 0.0 118.728 -174.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -157.11 169.35 24.99 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 122.485 1.136 . . . . 0.0 112.738 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -113.06 126.55 55.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 129.224 3.01 . . . . 0.0 104.774 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 10' ' ' GLN 0.262 11.2 mp0 -59.3 -17.63 30.74 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -175.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.87 -2.55 34.04 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.999 1.719 . . . . 0.0 113.966 170.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tp -115.0 100.52 8.25 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.967 1.307 . . . . 0.0 108.164 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -71.25 -3.68 21.67 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -80.04 46.96 0.84 Allowed 'General case' 0 C--N 1.358 0.954 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.0 m -98.19 127.39 44.1 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 102.826 -3.027 . . . . 0.0 102.826 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.2 m -52.31 -22.83 4.91 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -176.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.6 p -97.03 -7.4 33.0 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 130.371 3.468 . . . . 0.0 113.938 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 103.79 -42.14 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.121 3.368 . . . . 0.0 114.719 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -120.98 136.87 54.88 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -167.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -95.7 149.24 21.7 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -117.5 -178.05 3.38 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.225 -1.547 . . . . 0.0 111.522 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -16.69 62.69 Favored 'General case' 0 C--N 1.369 1.426 0 N-CA-C 119.267 3.062 . . . . 0.0 119.267 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.48 6.41 37.87 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.461 0.1 OUTLIER 80.87 15.35 0.64 Allowed 'General case' 0 C--N 1.376 1.731 0 C-N-CA 131.697 3.999 . . . . 0.0 114.06 -179.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -114.97 149.15 37.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.552 -1.343 . . . . 0.0 111.555 -169.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.36 128.76 34.77 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.114 2.566 . . . . 0.0 107.22 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.573 1.85 0 CA-C-O 127.463 3.506 . . . . 0.0 114.087 -179.203 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.506 2.353 0 CA-C-O 121.468 0.652 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -100.53 137.56 38.78 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.074 1.75 . . . . 0.0 107.917 168.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.491 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.356 0.887 0 C-N-CA 126.873 2.069 . . . . 0.0 111.301 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.79 152.2 40.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -100.16 124.2 45.29 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -170.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -128.53 158.08 39.41 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 128.892 2.877 . . . . 0.0 113.194 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -83.93 152.62 24.4 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.846 2.458 . . . . 0.0 108.784 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.21 -30.6 70.57 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -96.24 39.93 1.14 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.496 2.318 . . . . 0.0 112.311 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -125.63 124.25 40.78 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 127.274 2.23 . . . . 0.0 109.185 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -81.25 -23.54 37.93 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 125.841 1.657 . . . . 0.0 114.941 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -79.86 55.16 2.01 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.65 132.18 53.59 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 167.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.282 0.6 OUTLIER -66.17 -7.17 16.39 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 118.017 2.599 . . . . 0.0 118.017 -176.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.6 p -102.94 -14.97 16.3 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 129.176 2.991 . . . . 0.0 112.794 173.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.33 15.4 tpt85 111.88 -58.47 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 1 C-N-CA 131.872 4.069 . . . . 0.0 110.269 -177.013 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -116.65 152.84 33.41 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.335 1.454 . . . . 0.0 114.482 -170.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -85.76 170.63 12.27 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 130.837 3.655 . . . . 0.0 112.328 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -138.58 -169.17 2.55 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.396 -1.44 . . . . 0.0 111.733 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.43 36.92 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 129.46 3.104 . . . . 0.0 118.941 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -84.01 3.85 32.58 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.014 2.526 . . . . 0.0 114.259 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m120 75.08 9.12 3.96 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.273 3.029 . . . . 0.0 112.196 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -92.03 151.71 20.33 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.434 1.494 . . . . 0.0 112.337 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.43 94.83 3.72 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 128.602 2.761 . . . . 0.0 110.599 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.356 0.89 0 C-N-CA 124.701 1.201 . . . . 0.0 113.02 -171.71 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -79.06 149.38 32.15 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 128.171 2.589 . . . . 0.0 114.919 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.185 0 N-CA-C 116.417 2.006 . . . . 0.0 116.417 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.339 80.8 m-20 . . . . . 0 N--CA 1.46 0.044 0 CA-C-O 123.177 1.465 . . . . 0.0 111.499 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -108.53 168.35 9.39 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -93.06 137.66 32.21 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -165.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.26 -152.91 0.53 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.754 1.622 . . . . 0.0 111.296 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -151.88 141.85 22.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.75 -10.45 8.88 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 118.902 2.927 . . . . 0.0 118.902 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.67 -2.23 28.64 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.803 2.041 . . . . 0.0 114.713 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.07 159.89 23.07 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 122.079 2.218 . . . . 0.0 110.934 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -148.53 54.21 1.01 Allowed 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.396 -1.44 . . . . 0.0 110.305 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.49 47.21 1.02 Allowed 'General case' 0 C--N 1.373 1.592 0 O-C-N 119.246 -2.159 . . . . 0.0 108.768 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.6 m -116.16 141.51 48.05 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 129.126 2.97 . . . . 0.0 107.068 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.57 -18.12 64.89 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 128.393 2.677 . . . . 0.0 115.586 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -94.22 -30.73 14.43 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 127.044 2.138 . . . . 0.0 110.716 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 3.5 mpt_? 74.09 34.18 0.88 Allowed 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.733 2.413 . . . . 0.0 114.634 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -149.01 123.51 9.72 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.596 1.158 . . . . 0.0 108.553 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.88 150.15 22.2 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.852 2.061 . . . . 0.0 110.913 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.269 9.0 p30 -102.18 -178.54 3.73 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 120.734 -1.229 . . . . 0.0 108.74 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -10.18 56.92 Favored 'General case' 0 C--N 1.37 1.492 0 CA-C-N 121.569 1.986 . . . . 0.0 115.325 -172.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.53 -20.49 47.03 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.604 2.762 . . . . 0.0 113.378 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 94.57 48.36 0.0 OUTLIER 'General case' 0 C--N 1.369 1.423 0 C-N-CA 130.064 3.345 . . . . 0.0 109.615 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -140.51 142.52 35.23 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 127.164 2.186 . . . . 0.0 109.794 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.8 m -91.45 121.53 33.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.17 2.188 . . . . 0.0 109.096 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.221 -0.443 0 C-N-CA 124.448 1.099 . . . . 0.0 110.499 -173.414 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.512 2.665 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.23 147.69 22.68 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 125.796 1.638 . . . . 0.0 112.568 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt . . . . . 0 C--N 1.359 0.993 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -173.486 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.291 19.8 m-20 . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.17 153.96 23.02 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 61.1 mmtt -70.28 124.54 24.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 119.537 3.162 . . . . 0.0 119.537 -173.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.86 -148.34 0.42 Allowed 'General case' 0 C--N 1.371 1.525 0 C-N-CA 128.518 2.727 . . . . 0.0 108.58 175.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -163.0 158.25 21.95 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -66.8 -23.42 66.05 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -93.38 0.61 56.93 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 126.272 1.829 . . . . 0.0 113.328 173.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -126.42 62.11 1.29 Allowed 'General case' 0 C--N 1.362 1.119 0 CA-C-O 123.877 1.798 . . . . 0.0 106.768 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.05 8.16 0.45 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.594 3.158 . . . . 0.0 118.743 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -80.67 59.86 3.77 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.388 1.875 . . . . 0.0 113.435 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.81 133.7 46.14 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 129.233 3.013 . . . . 0.0 103.452 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -60.15 -20.96 60.89 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 127.573 2.349 . . . . 0.0 117.112 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -95.61 -11.2 27.65 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 129.908 3.283 . . . . 0.0 111.47 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.329 51.0 mtt85 69.71 34.68 2.61 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 129.452 3.101 . . . . 0.0 115.525 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -148.83 143.14 26.11 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 124.352 1.061 . . . . 0.0 109.804 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.6 m -117.26 154.97 30.28 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.038 2.535 . . . . 0.0 106.714 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.267 21.8 t-20 -95.1 -161.6 0.87 Allowed 'General case' 0 C--N 1.347 0.493 0 C-N-CA 128.523 2.729 . . . . 0.0 111.122 -172.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -31.13 11.86 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.447 2.299 . . . . 0.0 112.261 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -83.58 -7.07 59.59 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 129.074 2.95 . . . . 0.0 114.4 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.288 71.4 m-80 79.33 61.37 0.02 OUTLIER 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.179 2.992 . . . . 0.0 112.067 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 2.1 ttmp? -131.91 146.26 52.0 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 130.248 3.419 . . . . 0.0 106.761 -177.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 m -77.88 123.16 26.42 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 127.795 2.438 . . . . 0.0 108.741 170.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.549 0.936 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.763 -174.427 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.435 ' HB3' ' HB3' ' A' ' 6' ' ' GLN . 71.4 mtm180 -110.02 138.91 45.73 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.516 1.526 . . . . 0.0 111.266 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 pt . . . . . 0 C--N 1.355 0.843 0 C-N-CA 127.055 2.142 . . . . 0.0 112.655 -176.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 121.046 0.45 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -94.35 141.67 28.3 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.638 1.175 . . . . 0.0 108.824 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -83.39 135.83 34.56 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 119.601 3.186 . . . . 0.0 119.601 -166.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.59 170.39 22.49 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.251 1.82 . . . . 0.0 113.721 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -107.41 158.38 17.22 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.728 3.211 . . . . 0.0 106.485 165.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.253 16.8 mp0 -69.46 -17.81 63.66 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 118.882 -2.386 . . . . 0.0 116.597 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -83.77 8.49 14.53 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 125.5 1.52 . . . . 0.0 113.565 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HB3' HH22 ' A' ' 2' ' ' ARG . 1.0 OUTLIER -124.28 116.63 22.96 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -91.37 5.79 47.91 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.834 1.254 . . . . 0.0 113.253 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.8 40.68 0.82 Allowed 'General case' 0 C--N 1.364 1.226 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -174.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.7 m -95.96 129.06 43.33 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.641 2.776 . . . . 0.0 106.933 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 0.85 28.36 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.229 -1.545 . . . . 0.0 114.547 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 p -113.75 9.85 17.77 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 131.164 3.786 . . . . 0.0 111.06 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.263 6.1 tpm_? 89.87 -45.81 0.02 OUTLIER 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.442 2.697 . . . . 0.0 114.093 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -139.09 160.02 40.78 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 120.514 -1.366 . . . . 0.0 113.91 -172.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -102.01 147.53 26.46 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.999 2.52 . . . . 0.0 110.713 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -117.36 166.25 12.53 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.101 -1.625 . . . . 0.0 113.196 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.0 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.364 1.231 0 C-N-CA 131.604 3.962 . . . . 0.0 121.039 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.9 -10.1 59.74 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.195 1.798 . . . . 0.0 114.935 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 98.07 25.58 0.01 OUTLIER 'General case' 0 C--N 1.377 1.795 0 C-N-CA 128.405 2.682 . . . . 0.0 110.502 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -123.05 139.29 54.23 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 m -68.64 123.35 20.65 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 128.82 2.848 . . . . 0.0 107.564 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t . . . . . 0 CA--C 1.558 1.258 0 CA-C-O 126.604 3.097 . . . . 0.0 113.636 -172.492 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.509 2.514 0 CA-C-O 119.879 -0.105 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -148.62 149.88 32.29 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 102.23 -3.248 . . . . 0.0 102.23 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.0 pt . . . . . 0 C--N 1.363 1.182 0 C-N-CA 125.337 1.455 . . . . 0.0 113.406 -177.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.478 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -115.52 151.21 35.27 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.453 1.501 . . . . 0.0 107.827 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.05 138.57 54.52 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.5 m -100.13 178.57 4.74 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.402 2.681 . . . . 0.0 111.163 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -119.56 104.64 10.47 Favored 'General case' 0 C--N 1.353 0.752 1 N-CA-C 97.841 -4.874 . . . . 0.0 97.841 164.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.339 21.2 mt-30 -50.03 -17.02 0.34 Allowed 'General case' 0 C--N 1.373 1.624 0 N-CA-C 121.607 3.929 . . . . 0.0 121.607 -166.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -83.08 -7.71 59.61 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.124 1.77 . . . . 0.0 114.008 170.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -104.32 137.35 42.35 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 119.977 -1.702 . . . . 0.0 111.005 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -107.21 25.32 11.54 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.371 -2.706 . . . . 0.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.08 48.72 1.15 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.628 2.371 . . . . 0.0 116.098 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.3 m -105.7 139.5 40.19 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -16.15 63.52 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -95.65 -6.49 39.94 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 129.754 3.222 . . . . 0.0 113.653 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 26.2 mmm180 76.01 26.49 1.0 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 128.027 2.531 . . . . 0.0 115.626 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -157.55 135.42 10.77 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 119.725 -1.86 . . . . 0.0 111.526 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -102.87 142.03 34.68 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 128.284 2.634 . . . . 0.0 104.045 167.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -85.71 -172.5 4.14 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 123.658 1.694 . . . . 0.0 111.53 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -36.53 73.15 Favored 'General case' 0 C--N 1.349 0.543 0 C-N-CA 127.589 2.356 . . . . 0.0 114.237 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -84.57 -21.35 30.45 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.875 2.07 . . . . 0.0 115.105 -172.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.374 0.0 OUTLIER 121.04 14.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.169 0 C-N-CA 131.564 3.946 . . . . 0.0 111.681 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -106.56 139.64 40.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.703 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.06 118.94 11.2 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.141 2.177 . . . . 0.0 111.425 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.535 -174.22 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -89.73 162.49 15.53 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-O 123.634 1.683 . . . . 0.0 113.032 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 pt . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 128.233 2.613 . . . . 0.0 109.238 176.628 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.281 61.1 m-80 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.277 0.0 OUTLIER -99.44 139.67 34.75 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.161 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 20.5 mmtp -76.38 136.45 39.5 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 130.282 3.433 . . . . 0.0 115.715 -163.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.1 p -124.06 -139.98 0.3 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.972 2.509 . . . . 0.0 110.74 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -161.24 152.16 18.38 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 131.613 3.965 . . . . 0.0 102.535 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -71.29 -18.51 62.41 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -97.9 3.83 49.66 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.349 1.46 . . . . 0.0 114.256 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.63 121.17 39.52 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 119.804 -1.81 . . . . 0.0 112.944 -171.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -75.04 62.68 1.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.522 2.329 . . . . 0.0 112.659 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.11 41.78 1.79 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.751 1.62 . . . . 0.0 113.481 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.2 m -114.97 124.83 52.67 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.64 -3.91 37.16 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.922 -1.111 . . . . 0.0 113.929 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 p -105.03 -7.67 19.04 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 129.434 3.094 . . . . 0.0 111.261 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 1.0 OUTLIER 101.27 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.362 1.122 0 C-N-CA 129.544 3.138 . . . . 0.0 113.856 -178.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.11 162.44 34.19 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 119.337 -2.102 . . . . 0.0 115.497 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -98.25 164.77 12.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 129.647 3.179 . . . . 0.0 109.445 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.53 HD21 ' NZ ' ' A' ' 25' ' ' LYS . 41.6 p30 -103.8 -148.2 0.39 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.486 1.514 . . . . 0.0 112.255 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -15.8 25.48 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -100.32 8.67 43.54 Favored 'General case' 0 C--N 1.373 1.618 0 O-C-N 120.451 -1.406 . . . . 0.0 111.266 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 75.76 38.11 0.38 Allowed 'General case' 0 C--N 1.361 1.095 0 C-N-CA 129.929 3.292 . . . . 0.0 113.124 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -122.5 153.7 38.83 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.841 -1.162 . . . . 0.0 108.154 -178.406 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.23 118.98 19.52 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 126.294 1.837 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 124.548 1.139 . . . . 0.0 109.052 -178.211 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 120.717 0.294 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -110.31 139.11 45.83 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 127.131 2.173 . . . . 0.0 107.88 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--N 1.353 0.759 0 C-N-CA 126.799 2.039 . . . . 0.0 107.284 175.064 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -117.28 140.8 49.09 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 102.896 -3.001 . . . . 0.0 102.896 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.53 136.58 36.92 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.145 2.178 . . . . 0.0 114.447 -168.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.66 -163.43 1.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.892 1.677 . . . . 0.0 113.648 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.45 138.47 39.81 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 128.512 2.725 . . . . 0.0 104.093 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -59.38 -23.98 63.03 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.572 2.349 . . . . 0.0 116.583 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -102.01 7.87 41.15 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 126.855 2.062 . . . . 0.0 114.531 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -114.6 122.25 45.91 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 121.658 2.026 . . . . 0.0 114.005 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.39 67.05 0.7 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.301 2.64 . . . . 0.0 114.82 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -140.76 16.6 2.33 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 120.823 -1.173 . . . . 0.0 112.67 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.0 m -97.69 131.82 43.89 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 119.925 -1.734 . . . . 0.0 109.797 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.44 1.25 34.0 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.973 1.709 . . . . 0.0 114.685 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 p -110.46 1.55 18.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 129.555 3.142 . . . . 0.0 109.59 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.32 28.4 mmm180 91.31 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.146 2.579 . . . . 0.0 115.078 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -141.52 172.86 12.1 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.845 1.657 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 78.3 m -103.89 172.82 6.59 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.221 3.408 . . . . 0.0 110.472 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -133.8 179.96 5.91 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.325 1.45 . . . . 0.0 109.019 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -73.81 -3.84 31.08 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 -175.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -87.41 -8.62 56.33 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.83 2.452 . . . . 0.0 111.01 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.447 77.5 m-20 75.27 23.99 1.48 Allowed 'General case' 0 C--N 1.369 1.433 0 C-N-CA 131.431 3.892 . . . . 0.0 114.151 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -104.79 162.29 13.44 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 129.904 3.281 . . . . 0.0 107.93 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 68.5 m -69.85 149.89 47.39 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 129.009 2.924 . . . . 0.0 110.565 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 C--N 1.36 1.05 0 CA-C-O 126.244 2.926 . . . . 0.0 114.097 -175.17 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 121.552 0.691 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.6 ttp-105 -97.86 155.5 17.03 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.726 2.81 . . . . 0.0 109.711 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt . . . . . 0 C--N 1.353 0.734 0 O-C-N 120.435 -1.416 . . . . 0.0 113.419 -173.504 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.506 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.309 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -78.67 153.32 31.09 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 123.002 1.382 . . . . 0.0 111.837 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -76.87 137.24 39.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.28 2.232 . . . . 0.0 116.879 -173.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.0 171.93 15.58 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 124.266 1.984 . . . . 0.0 115.286 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -105.72 131.58 52.91 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 129.614 3.165 . . . . 0.0 107.974 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.257 18.9 mp0 -49.95 -29.74 9.0 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -87.09 4.68 41.17 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.961 1.304 . . . . 0.0 114.122 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.82 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.937 0 O-C-N 119.879 -1.763 . . . . 0.0 108.609 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.6 63.18 3.34 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 118.701 -2.499 . . . . 0.0 116.535 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -95.44 39.54 1.12 Allowed 'General case' 0 C--N 1.366 1.319 0 O-C-N 120.207 -1.558 . . . . 0.0 110.587 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.58 141.99 27.88 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 127.256 2.222 . . . . 0.0 106.218 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.295 0.5 OUTLIER -68.06 -8.78 40.73 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 176.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 p -98.2 -12.6 21.51 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 130.221 3.408 . . . . 0.0 111.563 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 66.9 mtt180 73.64 17.68 3.65 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 131.427 3.891 . . . . 0.0 118.966 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -151.56 144.07 24.21 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.489 2.404 . . . . 0.0 114.547 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.69 154.87 17.0 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.126 1.771 . . . . 0.0 109.195 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.293 38.1 t-20 -89.72 -164.11 1.11 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.737 3.215 . . . . 0.0 110.239 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.61 -28.8 12.68 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.194 -2.191 . . . . 0.0 110.544 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -80.99 8.22 8.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m120 81.02 32.98 0.12 Allowed 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.696 2.398 . . . . 0.0 113.977 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -124.37 148.06 47.78 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.363 1.865 . . . . 0.0 110.909 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.68 115.41 19.28 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.998 2.519 . . . . 0.0 105.969 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 CA--C 1.545 0.788 0 CA-C-O 121.772 0.796 . . . . 0.0 111.949 -173.504 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.511 2.599 0 CA-C-O 120.522 0.201 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -100.39 131.94 46.04 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.172 1.389 . . . . 0.0 110.005 172.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.716 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.437 -1.099 0 O-C-N 120.146 -1.596 . . . . 0.0 115.238 -172.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.274 74.6 m-20 . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 122.756 1.265 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -109.52 162.7 14.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 170.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -83.74 137.68 33.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.019 1.728 . . . . 0.0 113.097 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -125.42 -154.24 0.61 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.278 1.831 . . . . 0.0 109.345 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.68 149.17 28.13 Favored 'General case' 0 N--CA 1.438 -1.037 1 N-CA-C 100.017 -4.068 . . . . 0.0 100.017 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -87.45 -4.11 59.01 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 125.798 1.639 . . . . 0.0 114.044 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -110.94 116.3 30.98 Favored 'General case' 0 C--N 1.367 1.349 0 O-C-N 119.826 -1.796 . . . . 0.0 111.582 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -104.71 55.11 0.71 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 125.382 1.473 . . . . 0.0 109.926 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.47 38.8 3.57 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 125.357 1.463 . . . . 0.0 111.904 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.4 m -95.6 145.75 25.0 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 168.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -31.38 72.54 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.69 2.396 . . . . 0.0 117.056 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -99.96 -7.17 25.48 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.496 3.118 . . . . 0.0 112.171 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 73.73 36.83 0.72 Allowed 'General case' 0 C--N 1.362 1.139 0 N-CA-C 118.464 2.765 . . . . 0.0 118.464 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -154.07 129.86 10.11 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 118.429 -2.669 . . . . 0.0 113.922 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 m -105.83 142.86 34.84 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.167 2.187 . . . . 0.0 106.35 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.259 19.1 p30 -100.84 -149.67 0.38 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.044 -1.035 . . . . 0.0 111.796 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -34.36 33.88 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.981 1.712 . . . . 0.0 114.724 -176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -84.95 -7.35 59.19 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.649 1.58 . . . . 0.0 112.959 -173.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 81.67 24.49 0.24 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.953 3.301 . . . . 0.0 112.051 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -100.29 140.46 34.5 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.324 1.85 . . . . 0.0 107.356 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.28 144.53 28.04 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 111.985 178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 126.733 2.013 . . . . 0.0 109.186 -175.029 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.503 2.21 0 CA-C-O 120.581 0.229 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.86 144.61 28.71 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.528 1.531 . . . . 0.0 109.32 170.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.539 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 C-N-CA 126.289 1.835 . . . . 0.0 113.335 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 122.081 0.944 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 150.31 29.54 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -72.81 123.85 24.2 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 125.401 1.481 . . . . 0.0 114.005 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 p -115.96 -144.26 0.38 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.03 2.132 . . . . 0.0 109.531 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -163.26 146.4 10.45 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 130.476 3.51 . . . . 0.0 103.68 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -66.46 -17.76 64.97 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -90.06 0.55 57.07 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 124.857 1.263 . . . . 0.0 113.456 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -110.64 94.97 5.27 Favored 'General case' 0 C--N 1.365 1.249 0 O-C-N 119.286 -2.134 . . . . 0.0 108.278 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.15 -2.33 58.55 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 120.37 -1.456 . . . . 0.0 113.771 -176.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.15 57.0 4.24 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 126.946 2.098 . . . . 0.0 113.513 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -100.9 143.46 31.02 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 172.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -86.91 1.94 50.93 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.552 1.141 . . . . 0.0 112.678 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -82.9 -53.48 5.82 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 130.35 3.46 . . . . 0.0 112.216 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.505 0.0 OUTLIER 136.17 -22.28 0.01 OUTLIER 'General case' 0 C--N 1.356 0.863 1 C-N-CA 132.056 4.142 . . . . 0.0 113.873 171.699 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.3 147.23 12.48 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.88 -1.137 . . . . 0.0 111.232 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -93.57 134.4 35.89 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 126.913 2.085 . . . . 0.0 109.64 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -99.48 176.16 5.6 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.88 -2.388 . . . . 0.0 115.475 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -30.48 -45.75 0.07 Allowed 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 131.588 3.955 . . . . 0.0 119.637 171.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -85.65 -5.47 59.26 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 127.277 2.231 . . . . 0.0 113.545 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 81.41 39.28 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.576 2.75 . . . . 0.0 110.445 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -120.69 139.91 52.37 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.332 1.853 . . . . 0.0 107.452 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.09 128.45 34.65 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 114.11 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.573 1.831 0 CA-C-O 125.004 2.335 . . . . 0.0 112.007 -174.76 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.88 172.43 12.81 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 131.231 3.813 . . . . 0.0 102.067 171.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt . . . . . 0 C--N 1.343 0.32 0 C-N-CA 127.125 2.17 . . . . 0.0 105.342 -173.161 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -99.53 148.59 24.11 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -82.22 137.63 34.85 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.69 1.596 . . . . 0.0 113.947 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.318 14.5 p -124.44 -144.73 0.33 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.125 1.37 . . . . 0.0 109.767 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -165.88 162.08 18.09 Favored 'General case' 0 N--CA 1.434 -1.259 2 N-CA-C 99.397 -4.297 . . . . 0.0 99.397 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -83.75 0.01 49.01 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -103.11 9.64 38.31 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.357 1.463 . . . . 0.0 113.007 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.93 116.69 32.08 Favored 'General case' 0 C--N 1.369 1.444 0 O-C-N 119.494 -2.004 . . . . 0.0 109.021 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -89.52 -19.72 24.69 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 124.565 1.146 . . . . 0.0 112.808 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.33 56.72 2.16 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 119.177 3.028 . . . . 0.0 119.177 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -98.63 139.35 34.48 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 167.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.259 1.1 m -68.48 -12.86 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 117.736 -3.102 . . . . 0.0 116.416 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -91.77 -12.76 32.95 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 129.22 3.008 . . . . 0.0 111.575 170.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 66.6 mmt-85 56.06 42.61 28.23 Favored 'General case' 0 C--N 1.371 1.517 1 C-N-CA 134.134 4.974 . . . . 0.0 115.01 179.367 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -143.67 94.11 2.56 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 124.793 1.237 . . . . 0.0 113.634 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -84.62 163.97 18.96 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 119.836 -1.79 . . . . 0.0 111.631 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -133.48 171.12 14.52 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 125.616 1.566 . . . . 0.0 108.747 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.35 11.23 10.65 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -92.26 -8.05 46.36 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.585 -1.322 . . . . 0.0 110.044 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.446 0.2 OUTLIER 87.95 24.84 0.04 OUTLIER 'General case' 0 C--N 1.369 1.436 0 C-N-CA 129.769 3.228 . . . . 0.0 112.668 -178.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.49 143.65 50.54 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 120.376 -1.453 . . . . 0.0 109.775 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -77.87 124.49 28.05 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.899 2.48 . . . . 0.0 110.027 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.9 t . . . . . 0 CA--C 1.564 1.486 0 C-N-CA 124.172 0.989 . . . . 0.0 110.125 178.534 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -102.14 134.08 45.96 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 123.328 1.537 . . . . 0.0 110.218 172.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 125.431 1.492 . . . . 0.0 112.163 -176.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.552 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -85.91 143.9 27.96 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-O 123.088 1.423 . . . . 0.0 107.965 167.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -81.6 145.71 30.48 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.485 2.714 . . . . 0.0 117.63 -167.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 p -151.2 -137.35 0.08 Allowed 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.006 1.722 . . . . 0.0 112.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.83 174.48 10.58 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 100.204 -3.998 . . . . 0.0 100.204 -171.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -75.18 -32.03 61.13 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-N 122.178 2.263 . . . . 0.0 115.949 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -99.64 24.06 8.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.844 1.658 . . . . 0.0 112.974 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.65 44.78 2.06 Favored 'General case' 0 C--N 1.362 1.112 0 CA-C-O 122.243 1.02 . . . . 0.0 110.795 -175.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -82.04 63.03 6.08 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 120.278 -1.514 . . . . 0.0 114.954 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -89.25 51.34 2.11 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.119 -1.613 . . . . 0.0 109.627 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.25 152.35 27.25 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 127.774 2.43 . . . . 0.0 114.084 -172.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.97 54.15 2.34 Favored 'General case' 0 C--N 1.344 0.367 1 C-N-CA 131.744 4.018 . . . . 0.0 109.681 -177.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 p -176.36 -49.54 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 130.634 3.574 . . . . 0.0 106.899 -172.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.26 1.5 tpp180 88.87 35.68 0.02 OUTLIER 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.378 2.271 . . . . 0.0 115.848 168.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -161.32 132.8 5.51 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.192 -0.942 . . . . 0.0 111.113 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.58 150.13 22.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 126.241 1.816 . . . . 0.0 112.341 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -99.2 -178.08 3.81 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 126.685 1.994 . . . . 0.0 111.624 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -20.74 63.03 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -83.13 -9.39 59.22 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 129.086 2.954 . . . . 0.0 110.839 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.327 65.7 m-80 78.4 40.78 0.12 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 130.82 3.648 . . . . 0.0 111.949 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -123.67 150.38 44.32 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.25 2.22 . . . . 0.0 107.791 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.32 140.12 36.28 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.568 1.637 0 C-N-CA 126.827 2.051 . . . . 0.0 112.091 179.861 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.506 2.354 0 CA-C-O 121.165 0.507 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.436 ' HD2' HE21 ' A' ' 6' ' ' GLN . 70.6 mmt-85 -149.26 167.36 26.26 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt . . . . . 0 C--N 1.35 0.598 0 C-N-CA 124.759 1.224 . . . . 0.0 107.992 176.7 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.283 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.436 HE21 ' HD2' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -97.7 141.3 30.89 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.069 2.147 . . . . 0.0 106.768 171.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -72.54 130.05 39.73 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -160.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 p -132.91 171.96 13.24 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 129.062 2.945 . . . . 0.0 110.491 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -107.78 131.68 54.2 Favored 'General case' 0 N--CA 1.427 -1.591 1 C-N-CA 133.83 4.852 . . . . 0.0 103.577 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -56.06 -34.64 66.11 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 118.573 2.805 . . . . 0.0 118.573 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -105.66 54.21 0.7 Allowed 'General case' 0 C--N 1.347 0.481 0 C-N-CA 129.559 3.144 . . . . 0.0 109.917 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -160.49 140.47 11.24 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -101.67 27.79 6.12 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 121.929 2.15 . . . . 0.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.91 59.98 5.16 Favored 'General case' 0 C--N 1.365 1.241 0 O-C-N 118.685 -2.51 . . . . 0.0 114.96 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.9 m -129.62 138.17 51.09 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 127.816 2.446 . . . . 0.0 104.831 173.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -80.36 -3.41 49.49 Favored 'General case' 0 C--N 1.366 1.314 0 O-C-N 120.357 -1.465 . . . . 0.0 114.859 -176.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 p -95.01 -8.35 37.09 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 128.995 2.918 . . . . 0.0 110.255 171.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 91.14 -4.83 0.24 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 129.179 2.992 . . . . 0.0 114.447 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -158.08 154.98 28.43 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.254 -2.154 . . . . 0.0 113.854 -175.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.9 t -97.16 158.12 15.6 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.47 3.108 . . . . 0.0 110.144 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.441 HD22 ' HB ' ' A' ' 27' ' ' VAL 0.258 4.6 p30 -114.46 171.24 7.75 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 124.592 1.157 . . . . 0.0 109.102 173.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -10.55 16.86 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 -172.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -97.27 7.43 46.58 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.032 1.333 . . . . 0.0 112.923 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 81.65 31.96 0.12 Allowed 'General case' 0 C--N 1.373 1.619 0 C-N-CA 128.603 2.761 . . . . 0.0 112.227 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -126.2 148.89 49.36 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.907 2.083 . . . . 0.0 110.751 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.26 127.67 33.68 Favored 'General case' 0 C--N 1.365 1.275 0 O-C-N 120.691 -1.255 . . . . 0.0 109.6 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' HB ' HD22 ' A' ' 21' ' ' ASN . 12.5 p . . . . . 0 C--N 1.353 0.742 0 O-C-N 121.314 -0.866 . . . . 0.0 110.522 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 120.645 0.259 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.89 142.44 27.46 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.288 1.035 . . . . 0.0 110.508 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 pt . . . . . 0 CA--C 1.55 0.979 0 C-N-CA 125.243 1.417 . . . . 0.0 113.255 -178.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 122.607 1.194 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.64 151.04 26.18 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 172.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -83.22 134.95 34.93 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.555 1.942 . . . . 0.0 113.726 -173.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.02 167.5 10.05 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 124.87 2.271 . . . . 0.0 113.337 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -113.84 119.8 38.54 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 100.508 -3.886 . . . . 0.0 100.508 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.305 46.6 mm-40 -59.32 -16.6 23.09 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 119.722 3.231 . . . . 0.0 119.722 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -80.97 -8.72 59.83 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.787 1.635 . . . . 0.0 113.147 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -94.06 91.86 7.05 Favored 'General case' 0 C--N 1.371 1.504 0 O-C-N 118.356 -2.715 . . . . 0.0 110.033 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -84.7 55.14 3.3 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 129.071 2.949 . . . . 0.0 112.02 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.251 13.3 p-10 -159.28 56.58 0.41 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 124.558 1.143 . . . . 0.0 112.809 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 65.6 m -93.6 138.17 32.12 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 167.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.317 0.8 OUTLIER -60.54 -30.37 69.72 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 119.037 2.977 . . . . 0.0 119.037 -174.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -92.86 -9.28 40.84 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.454 1.901 . . . . 0.0 111.459 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' NH2' ' H ' ' A' ' 15' ' ' CYS 0.386 0.2 OUTLIER 68.98 42.26 1.32 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 174.308 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -161.35 127.73 3.87 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.801 -1.187 . . . . 0.0 111.142 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.45 156.06 24.18 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -122.69 -167.78 1.63 Allowed 'General case' 0 C--N 1.359 0.998 0 CA-C-N 120.448 1.476 . . . . 0.0 113.793 -177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -15.91 60.99 Favored 'General case' 0 C--N 1.373 1.621 0 N-CA-C 117.451 2.389 . . . . 0.0 117.451 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -96.61 13.42 28.29 Favored 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.153 -0.967 . . . . 0.0 113.58 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.468 0.0 OUTLIER 73.36 5.95 5.08 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 130.918 3.687 . . . . 0.0 115.492 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.66 145.47 25.21 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.008 1.723 . . . . 0.0 110.189 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.99 131.92 35.63 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.102 1.361 . . . . 0.0 107.483 171.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.552 1.043 0 CA-C-O 125.021 2.343 . . . . 0.0 114.104 -168.83 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.54 140.95 31.97 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 125.616 1.567 . . . . 0.0 107.024 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.474 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.36 1.041 0 C-N-CA 125.423 1.489 . . . . 0.0 112.831 -175.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.329 76.7 m-20 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 117.518 2.414 . . . . 0.0 117.518 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -92.71 127.03 38.07 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.4 115.5 7.1 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -169.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.4 p -105.73 178.54 4.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.965 2.106 . . . . 0.0 113.049 -175.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -111.87 110.55 20.95 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 130.255 3.422 . . . . 0.0 102.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -39.29 -30.34 0.06 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 121.114 3.746 . . . . 0.0 121.114 -170.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -92.0 3.85 54.32 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 127.397 2.279 . . . . 0.0 113.806 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.84 107.15 17.9 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 120.052 -1.655 . . . . 0.0 109.496 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -71.44 -12.5 61.43 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.139 2.976 . . . . 0.0 118.235 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 54.47 2.1 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.7 m -99.37 140.25 33.83 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 103.531 -2.766 . . . . 0.0 103.531 171.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -8.29 56.76 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.786 -1.821 . . . . 0.0 115.208 -177.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.281 11.7 p -118.4 27.7 8.79 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.314 1.846 . . . . 0.0 109.52 172.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.35 0.0 OUTLIER 76.77 -35.68 0.24 Allowed 'General case' 0 C--N 1.367 1.345 0 C-N-CA 130.635 3.574 . . . . 0.0 117.601 172.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 152.34 39.8 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 117.873 2.546 . . . . 0.0 117.873 -172.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.0 m -86.79 146.6 26.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.428 2.691 . . . . 0.0 111.176 173.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.436 HD21 ' NZ ' ' A' ' 25' ' ' LYS . 31.1 p30 -93.22 -165.4 1.33 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.734 1.614 . . . . 0.0 110.891 177.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -24.72 45.36 Favored 'General case' 0 C--N 1.367 1.329 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -88.59 5.67 41.74 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.886 2.874 . . . . 0.0 114.09 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 m120 89.12 7.95 0.11 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 128.433 2.693 . . . . 0.0 113.939 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' HD21 ' A' ' 21' ' ' ASN . 9.1 mtmp? -100.91 142.38 32.47 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.71 1.141 . . . . 0.0 113.164 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -74.27 116.63 15.14 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 126.268 1.827 . . . . 0.0 107.158 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 122.685 1.231 . . . . 0.0 110.112 -174.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.507 2.422 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 9.4 mmt180 -131.81 170.67 14.52 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.735 1.614 . . . . 0.0 109.858 176.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 129.038 2.935 . . . . 0.0 112.229 178.196 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 121.294 0.568 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.82 140.79 35.64 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 105.067 -2.198 . . . . 0.0 105.067 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.11 142.08 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.415 2.005 . . . . 0.0 116.415 -170.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -142.83 -137.32 0.1 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.525 -1.359 . . . . 0.0 113.492 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -159.72 169.38 23.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.214 3.006 . . . . 0.0 104.507 -167.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -74.59 -14.92 60.84 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -136.99 39.9 2.53 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.936 1.294 . . . . 0.0 111.998 -172.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -139.46 127.52 22.36 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 119.882 -1.761 . . . . 0.0 109.484 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.14 42.77 1.08 Allowed 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.011 -1.68 . . . . 0.0 114.478 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.32 20.77 1.9 Allowed 'General case' 0 C--N 1.37 1.463 0 O-C-N 119.935 -1.728 . . . . 0.0 112.964 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.3 m -117.73 123.34 45.81 Favored 'General case' 0 CA--C 1.496 -1.117 0 C-N-CA 127.952 2.501 . . . . 0.0 105.327 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -76.38 -6.78 53.11 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -173.306 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -93.05 -13.06 29.1 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.205 3.402 . . . . 0.0 110.0 171.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.28 10.8 mmt180 71.38 37.66 1.14 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 130.366 3.466 . . . . 0.0 115.474 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -158.76 122.89 3.99 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.667 -1.271 . . . . 0.0 112.725 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.69 149.68 20.99 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 129.195 2.998 . . . . 0.0 106.861 165.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.73 -160.5 0.72 Allowed 'General case' 0 C--N 1.359 0.989 0 O-C-N 121.21 -0.931 . . . . 0.0 112.59 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -20.82 55.06 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 127.901 2.48 . . . . 0.0 115.676 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -83.88 -1.5 54.58 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 120.425 -1.422 . . . . 0.0 111.513 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 67.24 38.64 3.28 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 131.5 3.92 . . . . 0.0 113.097 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -124.64 146.61 49.0 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.33 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.1 m -69.56 124.1 23.03 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 125.323 1.449 . . . . 0.0 112.452 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 CA--C 1.555 1.156 0 CA-C-O 123.168 1.461 . . . . 0.0 111.646 -176.349 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -138.13 151.22 47.56 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.198 -1.564 . . . . 0.0 111.896 -177.372 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.433 -1.297 0 C-N-CA 130.379 3.472 . . . . 0.0 116.789 -171.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.265 72.7 m-80 . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.4 147.39 29.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 133.22 45.22 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.783 2.833 . . . . 0.0 115.44 -175.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -129.86 -140.18 0.23 Allowed 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.059 1.744 . . . . 0.0 113.113 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -156.41 142.85 18.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 129.953 3.301 . . . . 0.0 104.193 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -75.21 6.55 4.23 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -151.53 52.15 0.83 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.896 2.078 . . . . 0.0 108.136 -175.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -155.28 125.32 6.63 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.62 33.84 1.4 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.613 1.565 . . . . 0.0 113.154 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.76 7.45 26.8 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.523 -1.361 . . . . 0.0 114.593 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -95.5 137.11 35.02 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -17.63 60.91 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -172.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -82.74 -37.9 24.0 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 128.26 2.624 . . . . 0.0 110.184 171.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.335 8.1 mpt_? 88.46 43.44 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 C-N-CA 130.399 3.479 . . . . 0.0 111.332 177.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -160.08 133.66 7.04 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 m -102.19 169.73 8.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.869 2.068 . . . . 0.0 107.143 170.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -117.31 171.98 7.61 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.875 -1.766 . . . . 0.0 110.672 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -36.87 2.31 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 130.61 3.564 . . . . 0.0 119.466 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -78.4 -17.17 56.79 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.904 2.881 . . . . 0.0 114.76 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 103.79 17.55 0.0 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.624 2.77 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -108.61 144.68 36.01 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.131 1.772 . . . . 0.0 114.898 -173.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 m -73.48 102.1 3.71 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.938 2.895 . . . . 0.0 109.907 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.553 1.088 0 CA-C-O 125.059 2.362 . . . . 0.0 109.083 178.367 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.506 2.33 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.552 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.05 142.49 29.7 Favored 'General case' 0 C--N 1.367 1.343 0 CA-C-N 119.484 1.038 . . . . 0.0 112.65 175.603 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.9 pt . . . . . 0 C--N 1.356 0.873 0 C-N-CA 127.612 2.365 . . . . 0.0 116.699 -175.163 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 122.295 1.045 . . . . 0.0 113.281 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -101.11 145.38 28.84 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -77.84 127.26 32.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 126.394 1.878 . . . . 0.0 115.398 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -144.57 164.21 31.61 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 124.35 2.024 . . . . 0.0 114.256 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -111.51 141.92 44.46 Favored 'General case' 0 N--CA 1.437 -1.116 1 C-N-CA 132.988 4.515 . . . . 0.0 101.731 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -56.89 -42.79 80.47 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.869 2.467 . . . . 0.0 116.524 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -103.26 24.22 11.25 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 128.9 2.88 . . . . 0.0 113.16 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.98 -60.52 1.88 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-O 123.07 1.414 . . . . 0.0 112.213 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.52 147.37 33.05 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-O 126.812 3.196 . . . . 0.0 110.233 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.17 88.78 2.81 Favored 'General case' 0 N--CA 1.419 -1.989 2 C-N-CA 134.282 5.033 . . . . 0.0 105.836 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 m -68.58 135.43 51.49 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.462 1.905 . . . . 0.0 111.365 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.97 -5.98 30.02 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -174.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 p -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 129.496 3.119 . . . . 0.0 110.506 174.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.273 6.7 tpm_? 98.89 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.364 1.226 0 C-N-CA 129.923 3.289 . . . . 0.0 113.913 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -123.85 145.96 48.73 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -168.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.7 m -100.56 163.19 12.47 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 128.916 2.886 . . . . 0.0 104.058 163.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -131.02 178.33 6.76 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.17 -0.956 . . . . 0.0 109.501 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -4.59 42.87 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.94 -1.06 57.55 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 125.051 1.34 . . . . 0.0 112.93 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 81.83 40.03 0.05 Allowed 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.695 2.398 . . . . 0.0 112.023 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -145.14 149.05 34.31 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 121.052 -1.03 . . . . 0.0 111.86 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -76.06 125.83 29.85 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 129.081 2.952 . . . . 0.0 109.392 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 CA--C 1.565 1.538 0 C-N-CA 124.824 1.25 . . . . 0.0 113.818 -175.373 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.485 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -148.5 137.1 21.43 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 173.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 C--N 1.353 0.734 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -171.923 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.28 88.0 m-20 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.5 129.5 45.68 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 172.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.268 1.5 mptm? -57.19 126.98 29.67 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 121.293 3.812 . . . . 0.0 121.293 -162.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.75 -161.28 0.78 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.827 2.051 . . . . 0.0 113.342 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -153.52 145.72 23.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -69.67 -9.26 53.59 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -99.07 0.42 43.61 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.463 1.905 . . . . 0.0 114.254 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -116.87 108.99 16.51 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 118.656 -2.528 . . . . 0.0 111.577 -173.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -90.33 23.0 3.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.534 2.333 . . . . 0.0 113.219 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -102.06 57.95 0.82 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.11 1.764 . . . . 0.0 112.318 -176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 m -125.89 163.39 23.05 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.042 2.537 . . . . 0.0 108.142 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 36.71 1.82 Allowed 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.587 2.755 . . . . 0.0 112.159 -175.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -156.22 -55.53 0.09 Allowed 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 128.912 2.885 . . . . 0.0 107.221 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.425 41.0 mtt85 87.68 41.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.243 2.217 . . . . 0.0 115.688 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -152.71 133.07 13.65 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 170.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -105.73 165.68 11.0 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 128.649 2.78 . . . . 0.0 109.292 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -136.09 -179.32 5.59 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 121.147 -0.97 . . . . 0.0 110.565 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -10.39 51.82 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 120.215 3.413 . . . . 0.0 120.215 -173.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -96.25 4.23 52.51 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 120.94 -1.1 . . . . 0.0 111.226 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 70.0 m-20 68.92 42.0 1.39 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 129.226 3.01 . . . . 0.0 113.206 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -115.24 145.35 42.52 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 127.525 2.33 . . . . 0.0 108.213 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -90.03 135.93 33.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.084 1.754 . . . . 0.0 107.205 171.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 CA--C 1.564 1.515 0 CA-C-O 124.554 2.121 . . . . 0.0 112.491 -176.163 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -91.8 143.2 26.76 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 126.654 1.982 . . . . 0.0 111.198 176.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 pt . . . . . 0 C--N 1.365 1.277 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -179.824 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -122.94 148.38 45.54 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HD2' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -46.8 128.05 10.43 Favored 'General case' 0 CA--C 1.546 0.798 1 C-N-CA 134.3 5.04 . . . . 0.0 121.312 -173.593 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -140.31 -156.73 0.7 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.71 2.004 . . . . 0.0 114.795 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -140.17 128.55 22.65 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 129.924 3.29 . . . . 0.0 104.447 -174.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -46.98 -33.86 5.06 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 120.081 3.363 . . . . 0.0 120.081 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -96.89 7.27 47.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 127.953 2.501 . . . . 0.0 114.204 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -115.73 110.8 19.63 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 119.616 -1.927 . . . . 0.0 110.412 -178.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.64 42.44 1.09 Allowed 'General case' 0 C--N 1.369 1.443 0 O-C-N 118.521 -2.612 . . . . 0.0 111.064 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.91 35.77 1.81 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 130.39 3.476 . . . . 0.0 107.964 176.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.0 m -104.86 134.76 47.43 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 131.173 3.789 . . . . 0.0 104.469 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 m -80.28 61.82 4.21 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.256 179.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -167.12 -51.3 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 129.329 3.052 . . . . 0.0 108.793 -172.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 9.7 mmp_? 116.49 9.01 0.0 OUTLIER 'General case' 0 C--N 1.369 1.443 0 C-N-CA 129.837 3.255 . . . . 0.0 112.366 177.112 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -161.11 163.4 31.42 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 119.858 -1.776 . . . . 0.0 112.737 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.3 m -120.44 166.57 13.4 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 129.476 3.11 . . . . 0.0 109.157 179.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -126.32 -175.77 3.47 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.954 1.302 . . . . 0.0 112.414 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -20.56 65.1 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 129.108 2.963 . . . . 0.0 118.505 -176.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -97.98 1.49 47.95 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.114 1.366 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 81.8 m-20 68.41 44.91 1.23 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 129.709 3.203 . . . . 0.0 112.67 179.303 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -121.88 150.53 41.83 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.833 2.853 . . . . 0.0 107.605 178.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.3 m -80.74 138.22 36.3 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.341 2.656 . . . . 0.0 111.923 173.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 t . . . . . 0 CA--C 1.57 1.749 0 CA-C-O 123.971 1.843 . . . . 0.0 114.724 -174.44 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.273 86.9 mtm-85 -110.21 157.71 19.14 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 122.156 0.979 . . . . 0.0 111.427 174.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt . . . . . 0 C--N 1.356 0.855 0 C-N-CA 125.641 1.576 . . . . 0.0 112.304 -170.232 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.269 58.8 m-80 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.27 154.16 24.3 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 121.663 -0.648 . . . . 0.0 110.334 175.055 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -92.83 137.69 32.14 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 -163.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 p -122.68 -155.3 0.64 Allowed 'General case' 0 C--N 1.363 1.19 1 C-N-CA 131.717 4.007 . . . . 0.0 108.75 176.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 11' ' ' HIS 0.252 29.3 t80 -162.03 149.68 14.41 Favored 'General case' 0 N--CA 1.428 -1.556 1 N-CA-C 100.095 -4.039 . . . . 0.0 100.095 -174.695 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -71.92 2.72 5.13 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -176.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.5 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -90.55 -3.04 57.87 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.45 2.3 . . . . 0.0 113.589 172.154 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 11' ' ' HIS . 14.6 mt -132.22 124.86 29.79 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 120.447 -1.408 . . . . 0.0 113.326 -171.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.44 20.88 8.82 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 119.567 -1.958 . . . . 0.0 115.994 -177.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -103.01 52.51 0.78 Allowed 'General case' 0 C--N 1.357 0.896 0 O-C-N 119.321 -2.112 . . . . 0.0 114.395 -174.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.88 126.6 44.59 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 170.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.253 0.5 OUTLIER -76.03 16.89 0.38 Allowed 'General case' 0 C--N 1.36 1.064 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 -175.456 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -106.38 -21.55 13.06 Favored 'General case' 0 N--CA 1.439 -0.99 1 C-N-CA 131.836 4.055 . . . . 0.0 111.864 174.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.282 9.8 mmm180 91.76 7.49 0.06 Allowed 'General case' 0 C--N 1.371 1.524 0 C-N-CA 129.238 3.015 . . . . 0.0 111.38 -174.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -153.04 129.82 10.89 Favored 'General case' 0 C--N 1.368 1.391 0 O-C-N 119.811 -1.806 . . . . 0.0 113.05 -173.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 139.06 37.62 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 172.202 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -83.84 168.16 16.37 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 130.433 3.493 . . . . 0.0 111.374 -177.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -77.35 -24.87 50.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.536 1.934 . . . . 0.0 112.393 179.672 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -78.27 -4.21 46.75 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 130.336 3.454 . . . . 0.0 113.96 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.251 63.9 m-80 86.19 11.16 0.21 Allowed 'General case' 0 C--N 1.376 1.718 0 C-N-CA 127.783 2.433 . . . . 0.0 113.928 179.106 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.9 147.26 23.26 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.417 1.487 . . . . 0.0 111.567 178.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.11 111.1 17.93 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 167.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 CA--C 1.55 0.954 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.581 -168.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.508 2.465 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -90.2 146.33 24.34 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 109.839 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 pt -83.52 157.66 3.72 Favored 'Isoleucine or valine' 0 C--N 1.361 1.102 0 C-N-CA 126.393 1.877 . . . . 0.0 115.592 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.318 66.9 m-20 92.65 -8.48 0.18 Allowed 'General case' 0 C--N 1.351 0.671 0 C-N-CA 128.016 2.527 . . . . 0.0 115.472 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -93.39 158.59 15.65 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 124.698 1.199 . . . . 0.0 109.691 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 134.39 55.4 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 130.067 3.347 . . . . 0.0 118.728 -174.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -157.11 169.35 24.99 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 122.485 1.136 . . . . 0.0 112.738 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -113.06 126.55 55.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 129.224 3.01 . . . . 0.0 104.774 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 10' ' ' GLN 0.262 11.2 mp0 -59.3 -17.63 30.74 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -175.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.87 -2.55 34.04 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 125.999 1.719 . . . . 0.0 113.966 170.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tp -115.0 100.52 8.25 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.967 1.307 . . . . 0.0 108.164 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -71.25 -3.68 21.67 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -80.04 46.96 0.84 Allowed 'General case' 0 C--N 1.358 0.954 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.0 m -98.19 127.39 44.1 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 102.826 -3.027 . . . . 0.0 102.826 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.2 m -52.31 -22.83 4.91 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -176.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.6 p -97.03 -7.4 33.0 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 130.371 3.468 . . . . 0.0 113.938 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 103.79 -42.14 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.121 3.368 . . . . 0.0 114.719 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -120.98 136.87 54.88 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -167.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -95.7 149.24 21.7 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -117.5 -178.05 3.38 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.225 -1.547 . . . . 0.0 111.522 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -16.69 62.69 Favored 'General case' 0 C--N 1.369 1.426 0 N-CA-C 119.267 3.062 . . . . 0.0 119.267 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.48 6.41 37.87 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.461 0.1 OUTLIER 80.87 15.35 0.64 Allowed 'General case' 0 C--N 1.376 1.731 0 C-N-CA 131.697 3.999 . . . . 0.0 114.06 -179.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -114.97 149.15 37.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.552 -1.343 . . . . 0.0 111.555 -169.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.36 128.76 34.77 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.114 2.566 . . . . 0.0 107.22 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m -66.23 149.54 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.85 0 CA-C-O 127.463 3.506 . . . . 0.0 114.087 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.387 1 O-C-N 116.003 -4.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.506 2.353 0 CA-C-O 121.468 0.652 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -100.53 137.56 38.78 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.074 1.75 . . . . 0.0 107.917 168.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.491 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -93.2 175.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 126.873 2.069 . . . . 0.0 111.301 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 177.76 51.55 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 128.48 2.712 . . . . 0.0 105.992 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.79 152.2 40.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -100.16 124.2 45.29 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -170.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -128.53 158.08 39.41 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 128.892 2.877 . . . . 0.0 113.194 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -83.93 152.62 24.4 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.846 2.458 . . . . 0.0 108.784 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.21 -30.6 70.57 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -96.24 39.93 1.14 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.496 2.318 . . . . 0.0 112.311 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -125.63 124.25 40.78 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 127.274 2.23 . . . . 0.0 109.185 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -81.25 -23.54 37.93 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 125.841 1.657 . . . . 0.0 114.941 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -79.86 55.16 2.01 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.65 132.18 53.59 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 167.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.282 0.6 OUTLIER -66.17 -7.17 16.39 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 118.017 2.599 . . . . 0.0 118.017 -176.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.6 p -102.94 -14.97 16.3 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 129.176 2.991 . . . . 0.0 112.794 173.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.33 15.4 tpt85 111.88 -58.47 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 1 C-N-CA 131.872 4.069 . . . . 0.0 110.269 -177.013 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -116.65 152.84 33.41 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.335 1.454 . . . . 0.0 114.482 -170.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -85.76 170.63 12.27 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 130.837 3.655 . . . . 0.0 112.328 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -138.58 -169.17 2.55 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.396 -1.44 . . . . 0.0 111.733 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.43 36.92 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 129.46 3.104 . . . . 0.0 118.941 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -84.01 3.85 32.58 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.014 2.526 . . . . 0.0 114.259 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m120 75.08 9.12 3.96 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.273 3.029 . . . . 0.0 112.196 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -92.03 151.71 20.33 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.434 1.494 . . . . 0.0 112.337 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.43 94.83 3.72 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 128.602 2.761 . . . . 0.0 110.599 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.76 128.91 25.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 C-N-CA 124.701 1.201 . . . . 0.0 113.02 -171.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.515 0 O-C-N 118.999 -2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -79.06 149.38 32.15 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 128.171 2.589 . . . . 0.0 114.919 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -81.64 157.14 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 N-CA-C 116.417 2.006 . . . . 0.0 116.417 -179.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.339 80.8 m-20 78.8 26.69 0.47 Allowed 'General case' 0 C--N 1.366 1.315 0 C-N-CA 130.716 3.607 . . . . 0.0 111.499 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -108.53 168.35 9.39 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -93.06 137.66 32.21 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -165.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.26 -152.91 0.53 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.754 1.622 . . . . 0.0 111.296 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -151.88 141.85 22.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.75 -10.45 8.88 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 118.902 2.927 . . . . 0.0 118.902 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.67 -2.23 28.64 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.803 2.041 . . . . 0.0 114.713 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.07 159.89 23.07 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 122.079 2.218 . . . . 0.0 110.934 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -148.53 54.21 1.01 Allowed 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.396 -1.44 . . . . 0.0 110.305 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.49 47.21 1.02 Allowed 'General case' 0 C--N 1.373 1.592 0 O-C-N 119.246 -2.159 . . . . 0.0 108.768 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.6 m -116.16 141.51 48.05 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 129.126 2.97 . . . . 0.0 107.068 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.57 -18.12 64.89 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 128.393 2.677 . . . . 0.0 115.586 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -94.22 -30.73 14.43 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 127.044 2.138 . . . . 0.0 110.716 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 3.5 mpt_? 74.09 34.18 0.88 Allowed 'General case' 0 C--N 1.359 1.008 0 C-N-CA 127.733 2.413 . . . . 0.0 114.634 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -149.01 123.51 9.72 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.596 1.158 . . . . 0.0 108.553 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.88 150.15 22.2 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.852 2.061 . . . . 0.0 110.913 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.269 9.0 p30 -102.18 -178.54 3.73 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 120.734 -1.229 . . . . 0.0 108.74 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -10.18 56.92 Favored 'General case' 0 C--N 1.37 1.492 0 CA-C-N 121.569 1.986 . . . . 0.0 115.325 -172.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.53 -20.49 47.03 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.604 2.762 . . . . 0.0 113.378 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 94.57 48.36 0.0 OUTLIER 'General case' 0 C--N 1.369 1.423 0 C-N-CA 130.064 3.345 . . . . 0.0 109.615 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -140.51 142.52 35.23 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 127.164 2.186 . . . . 0.0 109.794 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.8 m -91.45 121.53 33.24 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.17 2.188 . . . . 0.0 109.096 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -95.93 150.82 4.14 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 C-N-CA 124.448 1.099 . . . . 0.0 110.499 -173.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.467 0 O-C-N 118.992 -2.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.512 2.665 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.23 147.69 22.68 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 125.796 1.638 . . . . 0.0 112.568 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -90.2 163.53 2.31 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -173.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.291 19.8 m-20 75.72 21.72 1.64 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 129.335 3.054 . . . . 0.0 114.989 176.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.17 153.96 23.02 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 61.1 mmtt -70.28 124.54 24.41 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 119.537 3.162 . . . . 0.0 119.537 -173.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.86 -148.34 0.42 Allowed 'General case' 0 C--N 1.371 1.525 0 C-N-CA 128.518 2.727 . . . . 0.0 108.58 175.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -163.0 158.25 21.95 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -66.8 -23.42 66.05 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -93.38 0.61 56.93 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 126.272 1.829 . . . . 0.0 113.328 173.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -126.42 62.11 1.29 Allowed 'General case' 0 C--N 1.362 1.119 0 CA-C-O 123.877 1.798 . . . . 0.0 106.768 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.05 8.16 0.45 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.594 3.158 . . . . 0.0 118.743 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -80.67 59.86 3.77 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.388 1.875 . . . . 0.0 113.435 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.81 133.7 46.14 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 129.233 3.013 . . . . 0.0 103.452 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -60.15 -20.96 60.89 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 127.573 2.349 . . . . 0.0 117.112 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -95.61 -11.2 27.65 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 129.908 3.283 . . . . 0.0 111.47 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.329 51.0 mtt85 69.71 34.68 2.61 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 129.452 3.101 . . . . 0.0 115.525 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -148.83 143.14 26.11 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 124.352 1.061 . . . . 0.0 109.804 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.6 m -117.26 154.97 30.28 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.038 2.535 . . . . 0.0 106.714 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.267 21.8 t-20 -95.1 -161.6 0.87 Allowed 'General case' 0 C--N 1.347 0.493 0 C-N-CA 128.523 2.729 . . . . 0.0 111.122 -172.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -31.13 11.86 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.447 2.299 . . . . 0.0 112.261 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -83.58 -7.07 59.59 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 129.074 2.95 . . . . 0.0 114.4 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.288 71.4 m-80 79.33 61.37 0.02 OUTLIER 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.179 2.992 . . . . 0.0 112.067 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 2.1 ttmp? -131.91 146.26 52.0 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 130.248 3.419 . . . . 0.0 106.761 -177.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 m -77.88 123.16 26.42 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 127.795 2.438 . . . . 0.0 108.741 170.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.43 110.51 8.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.763 -174.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.645 0 CA-C-N 121.838 2.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.435 ' HB3' ' HB3' ' A' ' 6' ' ' GLN . 71.4 mtm180 -110.02 138.91 45.73 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.516 1.526 . . . . 0.0 111.266 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 pt -85.95 176.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 127.055 2.142 . . . . 0.0 112.655 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 100.61 4.04 0.02 OUTLIER 'General case' 0 C--N 1.37 1.495 0 C-N-CA 131.135 3.774 . . . . 0.0 110.366 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -94.35 141.67 28.3 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.638 1.175 . . . . 0.0 108.824 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -83.39 135.83 34.56 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 119.601 3.186 . . . . 0.0 119.601 -166.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.59 170.39 22.49 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.251 1.82 . . . . 0.0 113.721 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -107.41 158.38 17.22 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.728 3.211 . . . . 0.0 106.485 165.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.253 16.8 mp0 -69.46 -17.81 63.66 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 118.882 -2.386 . . . . 0.0 116.597 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -83.77 8.49 14.53 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 125.5 1.52 . . . . 0.0 113.565 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HB3' HH22 ' A' ' 2' ' ' ARG . 1.0 OUTLIER -124.28 116.63 22.96 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -91.37 5.79 47.91 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.834 1.254 . . . . 0.0 113.253 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.8 40.68 0.82 Allowed 'General case' 0 C--N 1.364 1.226 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -174.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.7 m -95.96 129.06 43.33 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.641 2.776 . . . . 0.0 106.933 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 0.85 28.36 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.229 -1.545 . . . . 0.0 114.547 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 p -113.75 9.85 17.77 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 131.164 3.786 . . . . 0.0 111.06 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.263 6.1 tpm_? 89.87 -45.81 0.02 OUTLIER 'General case' 0 C--N 1.369 1.442 0 C-N-CA 128.442 2.697 . . . . 0.0 114.093 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -139.09 160.02 40.78 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 120.514 -1.366 . . . . 0.0 113.91 -172.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -102.01 147.53 26.46 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.999 2.52 . . . . 0.0 110.713 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -117.36 166.25 12.53 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.101 -1.625 . . . . 0.0 113.196 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.0 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.364 1.231 0 C-N-CA 131.604 3.962 . . . . 0.0 121.039 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.9 -10.1 59.74 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.195 1.798 . . . . 0.0 114.935 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 98.07 25.58 0.01 OUTLIER 'General case' 0 C--N 1.377 1.795 0 C-N-CA 128.405 2.682 . . . . 0.0 110.502 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -123.05 139.29 54.23 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 m -68.64 123.35 20.65 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 128.82 2.848 . . . . 0.0 107.564 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -50.82 140.83 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 CA-C-O 126.604 3.097 . . . . 0.0 113.636 -172.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.304 0 O-C-N 117.339 -3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.509 2.514 0 CA-C-O 119.879 -0.105 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 tpp85 -148.62 149.88 32.29 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 102.23 -3.248 . . . . 0.0 102.23 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.0 pt -94.76 165.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.182 0 C-N-CA 125.337 1.455 . . . . 0.0 113.406 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.478 0.4 OUTLIER 74.28 23.2 2.09 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.591 2.756 . . . . 0.0 114.223 -177.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -115.52 151.21 35.27 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.453 1.501 . . . . 0.0 107.827 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.05 138.57 54.52 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.5 m -100.13 178.57 4.74 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.402 2.681 . . . . 0.0 111.163 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -119.56 104.64 10.47 Favored 'General case' 0 C--N 1.353 0.752 1 N-CA-C 97.841 -4.874 . . . . 0.0 97.841 164.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.339 21.2 mt-30 -50.03 -17.02 0.34 Allowed 'General case' 0 C--N 1.373 1.624 0 N-CA-C 121.607 3.929 . . . . 0.0 121.607 -166.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -83.08 -7.71 59.61 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.124 1.77 . . . . 0.0 114.008 170.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -104.32 137.35 42.35 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 119.977 -1.702 . . . . 0.0 111.005 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -107.21 25.32 11.54 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.371 -2.706 . . . . 0.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.08 48.72 1.15 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.628 2.371 . . . . 0.0 116.098 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.3 m -105.7 139.5 40.19 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -16.15 63.52 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -95.65 -6.49 39.94 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 129.754 3.222 . . . . 0.0 113.653 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.269 26.2 mmm180 76.01 26.49 1.0 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 128.027 2.531 . . . . 0.0 115.626 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -157.55 135.42 10.77 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 119.725 -1.86 . . . . 0.0 111.526 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -102.87 142.03 34.68 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 128.284 2.634 . . . . 0.0 104.045 167.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -85.71 -172.5 4.14 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 123.658 1.694 . . . . 0.0 111.53 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -36.53 73.15 Favored 'General case' 0 C--N 1.349 0.543 0 C-N-CA 127.589 2.356 . . . . 0.0 114.237 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -84.57 -21.35 30.45 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.875 2.07 . . . . 0.0 115.105 -172.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.374 0.0 OUTLIER 121.04 14.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.169 0 C-N-CA 131.564 3.946 . . . . 0.0 111.681 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -106.56 139.64 40.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.703 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.06 118.94 11.2 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.141 2.177 . . . . 0.0 111.425 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.99 113.07 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.535 -174.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.554 0 O-C-N 119.408 -2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -89.73 162.49 15.53 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-O 123.634 1.683 . . . . 0.0 113.032 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 pt -94.16 166.12 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 128.233 2.613 . . . . 0.0 109.238 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.281 61.1 m-80 94.11 4.02 0.05 OUTLIER 'General case' 0 C--N 1.371 1.508 0 C-N-CA 130.322 3.449 . . . . 0.0 114.019 -175.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.277 0.0 OUTLIER -99.44 139.67 34.75 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.161 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 20.5 mmtp -76.38 136.45 39.5 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 130.282 3.433 . . . . 0.0 115.715 -163.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.1 p -124.06 -139.98 0.3 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.972 2.509 . . . . 0.0 110.74 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -161.24 152.16 18.38 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 131.613 3.965 . . . . 0.0 102.535 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -71.29 -18.51 62.41 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -97.9 3.83 49.66 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 125.349 1.46 . . . . 0.0 114.256 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.63 121.17 39.52 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 119.804 -1.81 . . . . 0.0 112.944 -171.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -75.04 62.68 1.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.522 2.329 . . . . 0.0 112.659 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.11 41.78 1.79 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.751 1.62 . . . . 0.0 113.481 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.2 m -114.97 124.83 52.67 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.64 -3.91 37.16 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.922 -1.111 . . . . 0.0 113.929 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 p -105.03 -7.67 19.04 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 129.434 3.094 . . . . 0.0 111.261 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 1.0 OUTLIER 101.27 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.362 1.122 0 C-N-CA 129.544 3.138 . . . . 0.0 113.856 -178.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.11 162.44 34.19 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 119.337 -2.102 . . . . 0.0 115.497 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -98.25 164.77 12.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 129.647 3.179 . . . . 0.0 109.445 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.53 HD21 ' NZ ' ' A' ' 25' ' ' LYS . 41.6 p30 -103.8 -148.2 0.39 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.486 1.514 . . . . 0.0 112.255 176.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -15.8 25.48 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -100.32 8.67 43.54 Favored 'General case' 0 C--N 1.373 1.618 0 O-C-N 120.451 -1.406 . . . . 0.0 111.266 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 75.76 38.11 0.38 Allowed 'General case' 0 C--N 1.361 1.095 0 C-N-CA 129.929 3.292 . . . . 0.0 113.124 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -122.5 153.7 38.83 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.841 -1.162 . . . . 0.0 108.154 -178.406 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.23 118.98 19.52 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 126.294 1.837 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 p -88.07 136.82 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 124.548 1.139 . . . . 0.0 109.052 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.621 0 O-C-N 119.445 -2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 120.717 0.294 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -110.31 139.11 45.83 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 127.131 2.173 . . . . 0.0 107.88 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -101.91 164.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 126.799 2.039 . . . . 0.0 107.284 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -157.58 9.75 0.18 Allowed 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 126.103 1.761 . . . . 0.0 113.794 176.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -117.28 140.8 49.09 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 102.896 -3.001 . . . . 0.0 102.896 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.53 136.58 36.92 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.145 2.178 . . . . 0.0 114.447 -168.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.66 -163.43 1.33 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.892 1.677 . . . . 0.0 113.648 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.45 138.47 39.81 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 128.512 2.725 . . . . 0.0 104.093 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -59.38 -23.98 63.03 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.572 2.349 . . . . 0.0 116.583 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -102.01 7.87 41.15 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 126.855 2.062 . . . . 0.0 114.531 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -114.6 122.25 45.91 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 121.658 2.026 . . . . 0.0 114.005 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.39 67.05 0.7 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.301 2.64 . . . . 0.0 114.82 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -140.76 16.6 2.33 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 120.823 -1.173 . . . . 0.0 112.67 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.0 m -97.69 131.82 43.89 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 119.925 -1.734 . . . . 0.0 109.797 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.44 1.25 34.0 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.973 1.709 . . . . 0.0 114.685 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 p -110.46 1.55 18.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 129.555 3.142 . . . . 0.0 109.59 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.32 28.4 mmm180 91.31 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.146 2.579 . . . . 0.0 115.078 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -141.52 172.86 12.1 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.845 1.657 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 78.3 m -103.89 172.82 6.59 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.221 3.408 . . . . 0.0 110.472 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -133.8 179.96 5.91 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.325 1.45 . . . . 0.0 109.019 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -73.81 -3.84 31.08 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 -175.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -87.41 -8.62 56.33 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.83 2.452 . . . . 0.0 111.01 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.447 77.5 m-20 75.27 23.99 1.48 Allowed 'General case' 0 C--N 1.369 1.433 0 C-N-CA 131.431 3.892 . . . . 0.0 114.151 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -104.79 162.29 13.44 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 129.904 3.281 . . . . 0.0 107.93 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 68.5 m -69.85 149.89 47.39 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 129.009 2.924 . . . . 0.0 110.565 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.74 106.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.05 0 CA-C-O 126.244 2.926 . . . . 0.0 114.097 -175.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.559 0 O-C-N 116.889 -3.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 121.552 0.691 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.6 ttp-105 -97.86 155.5 17.03 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 128.726 2.81 . . . . 0.0 109.711 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt -106.61 162.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 O-C-N 120.435 -1.416 . . . . 0.0 113.419 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.506 0.1 OUTLIER 102.43 -21.23 0.02 OUTLIER 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.816 3.246 . . . . 0.0 112.735 -177.44 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -78.67 153.32 31.09 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 123.002 1.382 . . . . 0.0 111.837 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -76.87 137.24 39.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.28 2.232 . . . . 0.0 116.879 -173.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.0 171.93 15.58 Favored 'General case' 0 C--N 1.363 1.189 0 CA-C-O 124.266 1.984 . . . . 0.0 115.286 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -105.72 131.58 52.91 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 129.614 3.165 . . . . 0.0 107.974 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.257 18.9 mp0 -49.95 -29.74 9.0 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -87.09 4.68 41.17 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.961 1.304 . . . . 0.0 114.122 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -128.82 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.937 0 O-C-N 119.879 -1.763 . . . . 0.0 108.609 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.6 63.18 3.34 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 118.701 -2.499 . . . . 0.0 116.535 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -95.44 39.54 1.12 Allowed 'General case' 0 C--N 1.366 1.319 0 O-C-N 120.207 -1.558 . . . . 0.0 110.587 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.58 141.99 27.88 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 127.256 2.222 . . . . 0.0 106.218 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.295 0.5 OUTLIER -68.06 -8.78 40.73 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 176.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 p -98.2 -12.6 21.51 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 130.221 3.408 . . . . 0.0 111.563 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 66.9 mtt180 73.64 17.68 3.65 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 131.427 3.891 . . . . 0.0 118.966 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -151.56 144.07 24.21 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.489 2.404 . . . . 0.0 114.547 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.69 154.87 17.0 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.126 1.771 . . . . 0.0 109.195 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.293 38.1 t-20 -89.72 -164.11 1.11 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.737 3.215 . . . . 0.0 110.239 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.61 -28.8 12.68 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.194 -2.191 . . . . 0.0 110.544 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -80.99 8.22 8.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m120 81.02 32.98 0.12 Allowed 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.696 2.398 . . . . 0.0 113.977 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -124.37 148.06 47.78 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.363 1.865 . . . . 0.0 110.909 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.68 115.41 19.28 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.998 2.519 . . . . 0.0 105.969 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -93.71 145.74 7.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.772 0.796 . . . . 0.0 111.949 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.654 0 O-C-N 118.425 -2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.511 2.599 0 CA-C-O 120.522 0.201 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -100.39 131.94 46.04 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.172 1.389 . . . . 0.0 110.005 172.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.716 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -99.9 157.05 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 O-C-N 120.146 -1.596 . . . . 0.0 115.238 -172.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.274 74.6 m-20 82.23 13.49 0.53 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 130.436 3.495 . . . . 0.0 111.837 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -109.52 162.7 14.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 170.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -83.74 137.68 33.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.019 1.728 . . . . 0.0 113.097 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -125.42 -154.24 0.61 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.278 1.831 . . . . 0.0 109.345 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.68 149.17 28.13 Favored 'General case' 0 N--CA 1.438 -1.037 1 N-CA-C 100.017 -4.068 . . . . 0.0 100.017 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.19 -15.36 61.45 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -87.45 -4.11 59.01 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 125.798 1.639 . . . . 0.0 114.044 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -110.94 116.3 30.98 Favored 'General case' 0 C--N 1.367 1.349 0 O-C-N 119.826 -1.796 . . . . 0.0 111.582 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -104.71 55.11 0.71 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 125.382 1.473 . . . . 0.0 109.926 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.47 38.8 3.57 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 125.357 1.463 . . . . 0.0 111.904 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.4 m -95.6 145.75 25.0 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 168.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -31.38 72.54 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.69 2.396 . . . . 0.0 117.056 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -99.96 -7.17 25.48 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.496 3.118 . . . . 0.0 112.171 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 73.73 36.83 0.72 Allowed 'General case' 0 C--N 1.362 1.139 0 N-CA-C 118.464 2.765 . . . . 0.0 118.464 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -154.07 129.86 10.11 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 118.429 -2.669 . . . . 0.0 113.922 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 m -105.83 142.86 34.84 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.167 2.187 . . . . 0.0 106.35 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.259 19.1 p30 -100.84 -149.67 0.38 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.044 -1.035 . . . . 0.0 111.796 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -34.36 33.88 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 125.981 1.712 . . . . 0.0 114.724 -176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -84.95 -7.35 59.19 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.649 1.58 . . . . 0.0 112.959 -173.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 81.67 24.49 0.24 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.953 3.301 . . . . 0.0 112.051 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -100.29 140.46 34.5 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.324 1.85 . . . . 0.0 107.356 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.28 144.53 28.04 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 111.985 178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.11 154.54 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 126.733 2.013 . . . . 0.0 109.186 -175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.56 0 O-C-N 116.511 -3.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.503 2.21 0 CA-C-O 120.581 0.229 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.86 144.61 28.71 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.528 1.531 . . . . 0.0 109.32 170.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.539 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -92.13 164.7 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 C-N-CA 126.289 1.835 . . . . 0.0 113.335 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 74.18 15.01 3.72 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 129.989 3.316 . . . . 0.0 112.614 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 150.31 29.54 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -72.81 123.85 24.2 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 125.401 1.481 . . . . 0.0 114.005 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 p -115.96 -144.26 0.38 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.03 2.132 . . . . 0.0 109.531 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -163.26 146.4 10.45 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 130.476 3.51 . . . . 0.0 103.68 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -66.46 -17.76 64.97 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -90.06 0.55 57.07 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 124.857 1.263 . . . . 0.0 113.456 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -110.64 94.97 5.27 Favored 'General case' 0 C--N 1.365 1.249 0 O-C-N 119.286 -2.134 . . . . 0.0 108.278 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.15 -2.33 58.55 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 120.37 -1.456 . . . . 0.0 113.771 -176.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.15 57.0 4.24 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 126.946 2.098 . . . . 0.0 113.513 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -100.9 143.46 31.02 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 172.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -86.91 1.94 50.93 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.552 1.141 . . . . 0.0 112.678 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -82.9 -53.48 5.82 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 130.35 3.46 . . . . 0.0 112.216 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.505 0.0 OUTLIER 136.17 -22.28 0.01 OUTLIER 'General case' 0 C--N 1.356 0.863 1 C-N-CA 132.056 4.142 . . . . 0.0 113.873 171.699 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.3 147.23 12.48 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.88 -1.137 . . . . 0.0 111.232 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -93.57 134.4 35.89 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 126.913 2.085 . . . . 0.0 109.64 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -99.48 176.16 5.6 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.88 -2.388 . . . . 0.0 115.475 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -30.48 -45.75 0.07 Allowed 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 131.588 3.955 . . . . 0.0 119.637 171.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -85.65 -5.47 59.26 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 127.277 2.231 . . . . 0.0 113.545 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 81.41 39.28 0.06 Allowed 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.576 2.75 . . . . 0.0 110.445 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -120.69 139.91 52.37 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.332 1.853 . . . . 0.0 107.452 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.09 128.45 34.65 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 114.11 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -118.36 132.0 69.49 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.831 0 CA-C-O 125.004 2.335 . . . . 0.0 112.007 -174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.851 0 O-C-N 118.65 -2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.88 172.43 12.81 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 131.231 3.813 . . . . 0.0 102.067 171.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.415 ' HB ' HD22 ' A' ' 4' ' ' HYP . 21.8 pt -133.54 -178.59 2.74 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 127.125 2.17 . . . . 0.0 105.342 -173.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.568 ' HD1' ' N ' ' A' ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 77.58 18.46 1.31 Allowed 'General case' 0 C--N 1.371 1.532 0 C-N-CA 128.172 2.589 . . . . 0.0 114.938 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -99.53 148.59 24.11 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -82.22 137.63 34.85 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.69 1.596 . . . . 0.0 113.947 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.318 14.5 p -124.44 -144.73 0.33 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.125 1.37 . . . . 0.0 109.767 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -165.88 162.08 18.09 Favored 'General case' 0 N--CA 1.434 -1.259 2 N-CA-C 99.397 -4.297 . . . . 0.0 99.397 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -83.75 0.01 49.01 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -103.11 9.64 38.31 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.357 1.463 . . . . 0.0 113.007 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.93 116.69 32.08 Favored 'General case' 0 C--N 1.369 1.444 0 O-C-N 119.494 -2.004 . . . . 0.0 109.021 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -89.52 -19.72 24.69 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 124.565 1.146 . . . . 0.0 112.808 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.33 56.72 2.16 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 119.177 3.028 . . . . 0.0 119.177 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -98.63 139.35 34.48 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 167.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.259 1.1 m -68.48 -12.86 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 117.736 -3.102 . . . . 0.0 116.416 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -91.77 -12.76 32.95 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 129.22 3.008 . . . . 0.0 111.575 170.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 66.6 mmt-85 56.06 42.61 28.23 Favored 'General case' 0 C--N 1.371 1.517 1 C-N-CA 134.134 4.974 . . . . 0.0 115.01 179.367 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -143.67 94.11 2.56 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 124.793 1.237 . . . . 0.0 113.634 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -84.62 163.97 18.96 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 119.836 -1.79 . . . . 0.0 111.631 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -133.48 171.12 14.52 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 125.616 1.566 . . . . 0.0 108.747 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.35 11.23 10.65 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -92.26 -8.05 46.36 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.585 -1.322 . . . . 0.0 110.044 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.446 0.2 OUTLIER 87.95 24.84 0.04 OUTLIER 'General case' 0 C--N 1.369 1.436 0 C-N-CA 129.769 3.228 . . . . 0.0 112.668 -178.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.49 143.65 50.54 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 120.376 -1.453 . . . . 0.0 109.775 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -77.87 124.49 28.05 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.899 2.48 . . . . 0.0 110.027 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.9 t -70.51 131.44 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 124.172 0.989 . . . . 0.0 110.125 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . 0.568 ' N ' ' HD1' ' A' ' 4' ' ' HYP . . . . . . . . 0 C--N 1.347 0.491 0 O-C-N 119.136 -2.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -102.14 134.08 45.96 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 123.328 1.537 . . . . 0.0 110.218 172.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -87.16 170.43 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 125.431 1.492 . . . . 0.0 112.163 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.552 0.0 OUTLIER 93.46 2.87 0.06 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 130.267 3.427 . . . . 0.0 113.169 -174.048 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -85.91 143.9 27.96 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-O 123.088 1.423 . . . . 0.0 107.965 167.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -81.6 145.71 30.48 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.485 2.714 . . . . 0.0 117.63 -167.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 p -151.2 -137.35 0.08 Allowed 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.006 1.722 . . . . 0.0 112.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.83 174.48 10.58 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 100.204 -3.998 . . . . 0.0 100.204 -171.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -75.18 -32.03 61.13 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-N 122.178 2.263 . . . . 0.0 115.949 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -99.64 24.06 8.74 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.844 1.658 . . . . 0.0 112.974 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.65 44.78 2.06 Favored 'General case' 0 C--N 1.362 1.112 0 CA-C-O 122.243 1.02 . . . . 0.0 110.795 -175.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -82.04 63.03 6.08 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 120.278 -1.514 . . . . 0.0 114.954 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -89.25 51.34 2.11 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.119 -1.613 . . . . 0.0 109.627 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.25 152.35 27.25 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 127.774 2.43 . . . . 0.0 114.084 -172.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.97 54.15 2.34 Favored 'General case' 0 C--N 1.344 0.367 1 C-N-CA 131.744 4.018 . . . . 0.0 109.681 -177.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 p -176.36 -49.54 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 130.634 3.574 . . . . 0.0 106.899 -172.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.26 1.5 tpp180 88.87 35.68 0.02 OUTLIER 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.378 2.271 . . . . 0.0 115.848 168.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -161.32 132.8 5.51 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.192 -0.942 . . . . 0.0 111.113 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.58 150.13 22.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 126.241 1.816 . . . . 0.0 112.341 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -99.2 -178.08 3.81 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 126.685 1.994 . . . . 0.0 111.624 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -20.74 63.03 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -83.13 -9.39 59.22 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 129.086 2.954 . . . . 0.0 110.839 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.327 65.7 m-80 78.4 40.78 0.12 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 130.82 3.648 . . . . 0.0 111.949 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -123.67 150.38 44.32 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.25 2.22 . . . . 0.0 107.791 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.32 140.12 36.28 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.4 146.16 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 C-N-CA 126.827 2.051 . . . . 0.0 112.091 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.765 0 O-C-N 118.901 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.506 2.354 0 CA-C-O 121.165 0.507 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.436 ' HD2' HE21 ' A' ' 6' ' ' GLN . 70.6 mmt-85 -149.26 167.36 26.26 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -101.59 159.42 4.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 124.759 1.224 . . . . 0.0 107.992 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.283 0.8 OUTLIER 90.01 2.42 0.19 Allowed 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.353 1.861 . . . . 0.0 114.443 -172.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.436 HE21 ' HD2' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -97.7 141.3 30.89 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.069 2.147 . . . . 0.0 106.768 171.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -72.54 130.05 39.73 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -160.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 p -132.91 171.96 13.24 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 129.062 2.945 . . . . 0.0 110.491 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -107.78 131.68 54.2 Favored 'General case' 0 N--CA 1.427 -1.591 1 C-N-CA 133.83 4.852 . . . . 0.0 103.577 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -56.06 -34.64 66.11 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 118.573 2.805 . . . . 0.0 118.573 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -105.66 54.21 0.7 Allowed 'General case' 0 C--N 1.347 0.481 0 C-N-CA 129.559 3.144 . . . . 0.0 109.917 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -160.49 140.47 11.24 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -101.67 27.79 6.12 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 121.929 2.15 . . . . 0.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.91 59.98 5.16 Favored 'General case' 0 C--N 1.365 1.241 0 O-C-N 118.685 -2.51 . . . . 0.0 114.96 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.9 m -129.62 138.17 51.09 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 127.816 2.446 . . . . 0.0 104.831 173.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -80.36 -3.41 49.49 Favored 'General case' 0 C--N 1.366 1.314 0 O-C-N 120.357 -1.465 . . . . 0.0 114.859 -176.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 p -95.01 -8.35 37.09 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 128.995 2.918 . . . . 0.0 110.255 171.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 91.14 -4.83 0.24 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 129.179 2.992 . . . . 0.0 114.447 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -158.08 154.98 28.43 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.254 -2.154 . . . . 0.0 113.854 -175.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.9 t -97.16 158.12 15.6 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 129.47 3.108 . . . . 0.0 110.144 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.441 HD22 ' HB ' ' A' ' 27' ' ' VAL 0.258 4.6 p30 -114.46 171.24 7.75 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 124.592 1.157 . . . . 0.0 109.102 173.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -10.55 16.86 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 -172.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -97.27 7.43 46.58 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.032 1.333 . . . . 0.0 112.923 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 81.65 31.96 0.12 Allowed 'General case' 0 C--N 1.373 1.619 0 C-N-CA 128.603 2.761 . . . . 0.0 112.227 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -126.2 148.89 49.36 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.907 2.083 . . . . 0.0 110.751 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.26 127.67 33.68 Favored 'General case' 0 C--N 1.365 1.275 0 O-C-N 120.691 -1.255 . . . . 0.0 109.6 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' HB ' HD22 ' A' ' 21' ' ' ASN . 12.5 p -91.26 137.11 22.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 121.314 -0.866 . . . . 0.0 110.522 -172.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.58 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 120.645 0.259 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.89 142.44 27.46 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.288 1.035 . . . . 0.0 110.508 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 pt -85.85 154.26 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 125.243 1.417 . . . . 0.0 113.255 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 82.0 20.07 0.33 Allowed 'General case' 0 C--N 1.377 1.765 0 C-N-CA 130.313 3.445 . . . . 0.0 111.618 -175.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.64 151.04 26.18 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 172.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -83.22 134.95 34.93 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.555 1.942 . . . . 0.0 113.726 -173.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.02 167.5 10.05 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 124.87 2.271 . . . . 0.0 113.337 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -113.84 119.8 38.54 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 100.508 -3.886 . . . . 0.0 100.508 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . 0.305 46.6 mm-40 -59.32 -16.6 23.09 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 119.722 3.231 . . . . 0.0 119.722 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -80.97 -8.72 59.83 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.787 1.635 . . . . 0.0 113.147 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -94.06 91.86 7.05 Favored 'General case' 0 C--N 1.371 1.504 0 O-C-N 118.356 -2.715 . . . . 0.0 110.033 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -84.7 55.14 3.3 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 129.071 2.949 . . . . 0.0 112.02 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.251 13.3 p-10 -159.28 56.58 0.41 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 124.558 1.143 . . . . 0.0 112.809 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 65.6 m -93.6 138.17 32.12 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 167.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.317 0.8 OUTLIER -60.54 -30.37 69.72 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 119.037 2.977 . . . . 0.0 119.037 -174.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -92.86 -9.28 40.84 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.454 1.901 . . . . 0.0 111.459 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' NH2' ' H ' ' A' ' 15' ' ' CYS 0.386 0.2 OUTLIER 68.98 42.26 1.32 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 174.308 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -161.35 127.73 3.87 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.801 -1.187 . . . . 0.0 111.142 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.45 156.06 24.18 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -122.69 -167.78 1.63 Allowed 'General case' 0 C--N 1.359 0.998 0 CA-C-N 120.448 1.476 . . . . 0.0 113.793 -177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -15.91 60.99 Favored 'General case' 0 C--N 1.373 1.621 0 N-CA-C 117.451 2.389 . . . . 0.0 117.451 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -96.61 13.42 28.29 Favored 'General case' 0 C--N 1.365 1.281 0 O-C-N 121.153 -0.967 . . . . 0.0 113.58 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.468 0.0 OUTLIER 73.36 5.95 5.08 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 130.918 3.687 . . . . 0.0 115.492 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.66 145.47 25.21 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.008 1.723 . . . . 0.0 110.189 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.99 131.92 35.63 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.102 1.361 . . . . 0.0 107.483 171.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.7 t -78.36 119.89 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 CA-C-O 125.021 2.343 . . . . 0.0 114.104 -168.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.382 0 O-C-N 117.733 -3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.54 140.95 31.97 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 125.616 1.567 . . . . 0.0 107.024 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -90.08 157.86 2.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 C-N-CA 125.423 1.489 . . . . 0.0 112.831 -175.517 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.329 76.7 m-20 70.77 9.91 6.93 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 128.683 2.793 . . . . 0.0 117.518 -174.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -92.71 127.03 38.07 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.4 115.5 7.1 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -169.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.4 p -105.73 178.54 4.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.965 2.106 . . . . 0.0 113.049 -175.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -111.87 110.55 20.95 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 130.255 3.422 . . . . 0.0 102.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -39.29 -30.34 0.06 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 121.114 3.746 . . . . 0.0 121.114 -170.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -92.0 3.85 54.32 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 127.397 2.279 . . . . 0.0 113.806 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.84 107.15 17.9 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 120.052 -1.655 . . . . 0.0 109.496 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -71.44 -12.5 61.43 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.139 2.976 . . . . 0.0 118.235 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 54.47 2.1 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.7 m -99.37 140.25 33.83 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 103.531 -2.766 . . . . 0.0 103.531 171.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -8.29 56.76 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.786 -1.821 . . . . 0.0 115.208 -177.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.281 11.7 p -118.4 27.7 8.79 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.314 1.846 . . . . 0.0 109.52 172.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.35 0.0 OUTLIER 76.77 -35.68 0.24 Allowed 'General case' 0 C--N 1.367 1.345 0 C-N-CA 130.635 3.574 . . . . 0.0 117.601 172.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 152.34 39.8 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 117.873 2.546 . . . . 0.0 117.873 -172.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.0 m -86.79 146.6 26.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.428 2.691 . . . . 0.0 111.176 173.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.436 HD21 ' NZ ' ' A' ' 25' ' ' LYS . 31.1 p30 -93.22 -165.4 1.33 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.734 1.614 . . . . 0.0 110.891 177.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -24.72 45.36 Favored 'General case' 0 C--N 1.367 1.329 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -88.59 5.67 41.74 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.886 2.874 . . . . 0.0 114.09 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 m120 89.12 7.95 0.11 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 128.433 2.693 . . . . 0.0 113.939 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' HD21 ' A' ' 21' ' ' ASN . 9.1 mtmp? -100.91 142.38 32.47 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.71 1.141 . . . . 0.0 113.164 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -74.27 116.63 15.14 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 126.268 1.827 . . . . 0.0 107.158 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.46 131.54 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 122.685 1.231 . . . . 0.0 110.112 -174.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.67 0 O-C-N 119.055 -2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.507 2.422 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 9.4 mmt180 -131.81 170.67 14.52 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.735 1.614 . . . . 0.0 109.858 176.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -86.1 168.12 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 129.038 2.935 . . . . 0.0 112.229 178.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 84.38 19.5 0.15 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 128.011 2.524 . . . . 0.0 111.97 -172.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.82 140.79 35.64 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 105.067 -2.198 . . . . 0.0 105.067 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.11 142.08 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.415 2.005 . . . . 0.0 116.415 -170.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -142.83 -137.32 0.1 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.525 -1.359 . . . . 0.0 113.492 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -159.72 169.38 23.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.214 3.006 . . . . 0.0 104.507 -167.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -74.59 -14.92 60.84 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -136.99 39.9 2.53 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.936 1.294 . . . . 0.0 111.998 -172.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -139.46 127.52 22.36 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 119.882 -1.761 . . . . 0.0 109.484 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -88.14 42.77 1.08 Allowed 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.011 -1.68 . . . . 0.0 114.478 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.32 20.77 1.9 Allowed 'General case' 0 C--N 1.37 1.463 0 O-C-N 119.935 -1.728 . . . . 0.0 112.964 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.3 m -117.73 123.34 45.81 Favored 'General case' 0 CA--C 1.496 -1.117 0 C-N-CA 127.952 2.501 . . . . 0.0 105.327 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -76.38 -6.78 53.11 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -173.306 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -93.05 -13.06 29.1 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.205 3.402 . . . . 0.0 110.0 171.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.28 10.8 mmt180 71.38 37.66 1.14 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 130.366 3.466 . . . . 0.0 115.474 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -158.76 122.89 3.99 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.667 -1.271 . . . . 0.0 112.725 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.69 149.68 20.99 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 129.195 2.998 . . . . 0.0 106.861 165.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.73 -160.5 0.72 Allowed 'General case' 0 C--N 1.359 0.989 0 O-C-N 121.21 -0.931 . . . . 0.0 112.59 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -20.82 55.06 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 127.901 2.48 . . . . 0.0 115.676 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -83.88 -1.5 54.58 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 120.425 -1.422 . . . . 0.0 111.513 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 67.24 38.64 3.28 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 131.5 3.92 . . . . 0.0 113.097 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -124.64 146.61 49.0 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.33 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.1 m -69.56 124.1 23.03 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 125.323 1.449 . . . . 0.0 112.452 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.87 141.84 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 CA-C-O 123.168 1.461 . . . . 0.0 111.646 -176.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.452 0 O-C-N 117.864 -3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -138.13 151.22 47.56 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.198 -1.564 . . . . 0.0 111.896 -177.372 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -81.55 163.32 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 C-N-CA 130.379 3.472 . . . . 0.0 116.789 -171.401 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.419 HD23 ' HA ' ' A' ' 3' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.265 72.7 m-80 82.39 26.29 0.16 Allowed 'General case' 0 C--N 1.359 1.019 0 C-N-CA 127.311 2.244 . . . . 0.0 113.614 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.4 147.39 29.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 133.22 45.22 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.783 2.833 . . . . 0.0 115.44 -175.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -129.86 -140.18 0.23 Allowed 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.059 1.744 . . . . 0.0 113.113 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -156.41 142.85 18.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 129.953 3.301 . . . . 0.0 104.193 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -75.21 6.55 4.23 Favored 'General case' 0 C--N 1.364 1.228 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -151.53 52.15 0.83 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.896 2.078 . . . . 0.0 108.136 -175.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -155.28 125.32 6.63 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.62 33.84 1.4 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.613 1.565 . . . . 0.0 113.154 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.76 7.45 26.8 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.523 -1.361 . . . . 0.0 114.593 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -95.5 137.11 35.02 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -17.63 60.91 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -172.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -82.74 -37.9 24.0 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 128.26 2.624 . . . . 0.0 110.184 171.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.335 8.1 mpt_? 88.46 43.44 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 C-N-CA 130.399 3.479 . . . . 0.0 111.332 177.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -160.08 133.66 7.04 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 m -102.19 169.73 8.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.869 2.068 . . . . 0.0 107.143 170.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -117.31 171.98 7.61 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.875 -1.766 . . . . 0.0 110.672 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -36.87 2.31 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 130.61 3.564 . . . . 0.0 119.466 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -78.4 -17.17 56.79 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.904 2.881 . . . . 0.0 114.76 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 103.79 17.55 0.0 OUTLIER 'General case' 0 C--N 1.372 1.569 0 C-N-CA 128.624 2.77 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -108.61 144.68 36.01 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.131 1.772 . . . . 0.0 114.898 -173.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 m -73.48 102.1 3.71 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.938 2.895 . . . . 0.0 109.907 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p -74.31 109.43 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 CA-C-O 125.059 2.362 . . . . 0.0 109.083 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.465 0 O-C-N 117.965 -2.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.506 2.33 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.552 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.05 142.49 29.7 Favored 'General case' 0 C--N 1.367 1.343 0 CA-C-N 119.484 1.038 . . . . 0.0 112.65 175.603 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.9 pt -84.54 158.95 3.5 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 C-N-CA 127.612 2.365 . . . . 0.0 116.699 -175.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 76.23 20.95 1.52 Allowed 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.45 2.3 . . . . 0.0 113.281 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -101.11 145.38 28.84 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -77.84 127.26 32.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 126.394 1.878 . . . . 0.0 115.398 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -144.57 164.21 31.61 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 124.35 2.024 . . . . 0.0 114.256 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -111.51 141.92 44.46 Favored 'General case' 0 N--CA 1.437 -1.116 1 C-N-CA 132.988 4.515 . . . . 0.0 101.731 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -56.89 -42.79 80.47 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.869 2.467 . . . . 0.0 116.524 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -103.26 24.22 11.25 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 128.9 2.88 . . . . 0.0 113.16 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.98 -60.52 1.88 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-O 123.07 1.414 . . . . 0.0 112.213 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.52 147.37 33.05 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-O 126.812 3.196 . . . . 0.0 110.233 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.17 88.78 2.81 Favored 'General case' 0 N--CA 1.419 -1.989 2 C-N-CA 134.282 5.033 . . . . 0.0 105.836 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 m -68.58 135.43 51.49 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.462 1.905 . . . . 0.0 111.365 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.97 -5.98 30.02 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -174.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 p -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 129.496 3.119 . . . . 0.0 110.506 174.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.273 6.7 tpm_? 98.89 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.364 1.226 0 C-N-CA 129.923 3.289 . . . . 0.0 113.913 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -123.85 145.96 48.73 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -168.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.7 m -100.56 163.19 12.47 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 128.916 2.886 . . . . 0.0 104.058 163.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -131.02 178.33 6.76 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.17 -0.956 . . . . 0.0 109.501 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -4.59 42.87 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.94 -1.06 57.55 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 125.051 1.34 . . . . 0.0 112.93 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 81.83 40.03 0.05 Allowed 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.695 2.398 . . . . 0.0 112.023 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -145.14 149.05 34.31 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 121.052 -1.03 . . . . 0.0 111.86 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -76.06 125.83 29.85 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 129.081 2.952 . . . . 0.0 109.392 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.01 104.4 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.824 1.25 . . . . 0.0 113.818 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.566 0 O-C-N 118.252 -2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.485 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -148.5 137.1 21.43 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 173.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.6 pt -87.17 167.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -171.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.28 88.0 m-20 68.74 8.57 6.84 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 128.131 2.573 . . . . 0.0 117.658 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.5 129.5 45.68 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 172.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.268 1.5 mptm? -57.19 126.98 29.67 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 121.293 3.812 . . . . 0.0 121.293 -162.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.75 -161.28 0.78 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.827 2.051 . . . . 0.0 113.342 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -153.52 145.72 23.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -69.67 -9.26 53.59 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -99.07 0.42 43.61 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.463 1.905 . . . . 0.0 114.254 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -116.87 108.99 16.51 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 118.656 -2.528 . . . . 0.0 111.577 -173.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -90.33 23.0 3.09 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.534 2.333 . . . . 0.0 113.219 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -102.06 57.95 0.82 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.11 1.764 . . . . 0.0 112.318 -176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 m -125.89 163.39 23.05 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.042 2.537 . . . . 0.0 108.142 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 36.71 1.82 Allowed 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.587 2.755 . . . . 0.0 112.159 -175.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -156.22 -55.53 0.09 Allowed 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 128.912 2.885 . . . . 0.0 107.221 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.425 41.0 mtt85 87.68 41.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.243 2.217 . . . . 0.0 115.688 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -152.71 133.07 13.65 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 170.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 m -105.73 165.68 11.0 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 128.649 2.78 . . . . 0.0 109.292 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -136.09 -179.32 5.59 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 121.147 -0.97 . . . . 0.0 110.565 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -10.39 51.82 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 120.215 3.413 . . . . 0.0 120.215 -173.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -96.25 4.23 52.51 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 120.94 -1.1 . . . . 0.0 111.226 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 70.0 m-20 68.92 42.0 1.39 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 129.226 3.01 . . . . 0.0 113.206 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -115.24 145.35 42.52 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 127.525 2.33 . . . . 0.0 108.213 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 m -90.03 135.93 33.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.084 1.754 . . . . 0.0 107.205 171.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.46 161.65 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 CA-C-O 124.554 2.121 . . . . 0.0 112.491 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.482 0 O-C-N 118.42 -2.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -91.8 143.2 26.76 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 126.654 1.982 . . . . 0.0 111.198 176.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 pt -76.11 154.74 5.93 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t30 86.01 24.35 0.07 Allowed 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.895 2.878 . . . . 0.0 113.262 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -122.94 148.38 45.54 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HD2' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -46.8 128.05 10.43 Favored 'General case' 0 CA--C 1.546 0.798 1 C-N-CA 134.3 5.04 . . . . 0.0 121.312 -173.593 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -140.31 -156.73 0.7 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 126.71 2.004 . . . . 0.0 114.795 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -140.17 128.55 22.65 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 129.924 3.29 . . . . 0.0 104.447 -174.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -46.98 -33.86 5.06 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 120.081 3.363 . . . . 0.0 120.081 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -96.89 7.27 47.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 127.953 2.501 . . . . 0.0 114.204 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -115.73 110.8 19.63 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 119.616 -1.927 . . . . 0.0 110.412 -178.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.64 42.44 1.09 Allowed 'General case' 0 C--N 1.369 1.443 0 O-C-N 118.521 -2.612 . . . . 0.0 111.064 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.91 35.77 1.81 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 130.39 3.476 . . . . 0.0 107.964 176.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.0 m -104.86 134.76 47.43 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 131.173 3.789 . . . . 0.0 104.469 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 m -80.28 61.82 4.21 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.256 179.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -167.12 -51.3 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 129.329 3.052 . . . . 0.0 108.793 -172.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.331 9.7 mmp_? 116.49 9.01 0.0 OUTLIER 'General case' 0 C--N 1.369 1.443 0 C-N-CA 129.837 3.255 . . . . 0.0 112.366 177.112 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -161.11 163.4 31.42 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 119.858 -1.776 . . . . 0.0 112.737 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.3 m -120.44 166.57 13.4 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 129.476 3.11 . . . . 0.0 109.157 179.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -126.32 -175.77 3.47 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.954 1.302 . . . . 0.0 112.414 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -20.56 65.1 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 129.108 2.963 . . . . 0.0 118.505 -176.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -97.98 1.49 47.95 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.114 1.366 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.284 81.8 m-20 68.41 44.91 1.23 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 129.709 3.203 . . . . 0.0 112.67 179.303 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -121.88 150.53 41.83 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.833 2.853 . . . . 0.0 107.605 178.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.3 m -80.74 138.22 36.3 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.341 2.656 . . . . 0.0 111.923 173.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 t -89.47 78.19 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 CA-C-O 123.971 1.843 . . . . 0.0 114.724 -174.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.528 0 O-C-N 117.916 -2.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.273 86.9 mtm-85 -110.21 157.71 19.14 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 122.156 0.979 . . . . 0.0 111.427 174.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt -95.52 167.78 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 125.641 1.576 . . . . 0.0 112.304 -170.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.269 58.8 m-80 96.92 -12.36 0.08 Allowed 'General case' 0 C--N 1.373 1.616 0 C-N-CA 130.574 3.549 . . . . 0.0 112.654 -176.05 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.27 154.16 24.3 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 121.663 -0.648 . . . . 0.0 110.334 175.055 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -92.83 137.69 32.14 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 -163.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 p -122.68 -155.3 0.64 Allowed 'General case' 0 C--N 1.363 1.19 1 C-N-CA 131.717 4.007 . . . . 0.0 108.75 176.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 11' ' ' HIS 0.252 29.3 t80 -162.03 149.68 14.41 Favored 'General case' 0 N--CA 1.428 -1.556 1 N-CA-C 100.095 -4.039 . . . . 0.0 100.095 -174.695 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -71.92 2.72 5.13 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -176.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.5 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -90.55 -3.04 57.87 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.45 2.3 . . . . 0.0 113.589 172.154 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 11' ' ' HIS . 14.6 mt -132.22 124.86 29.79 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 120.447 -1.408 . . . . 0.0 113.326 -171.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.44 20.88 8.82 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 119.567 -1.958 . . . . 0.0 115.994 -177.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -103.01 52.51 0.78 Allowed 'General case' 0 C--N 1.357 0.896 0 O-C-N 119.321 -2.112 . . . . 0.0 114.395 -174.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.88 126.6 44.59 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 170.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.253 0.5 OUTLIER -76.03 16.89 0.38 Allowed 'General case' 0 C--N 1.36 1.064 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 -175.456 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -106.38 -21.55 13.06 Favored 'General case' 0 N--CA 1.439 -0.99 1 C-N-CA 131.836 4.055 . . . . 0.0 111.864 174.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.282 9.8 mmm180 91.76 7.49 0.06 Allowed 'General case' 0 C--N 1.371 1.524 0 C-N-CA 129.238 3.015 . . . . 0.0 111.38 -174.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -153.04 129.82 10.89 Favored 'General case' 0 C--N 1.368 1.391 0 O-C-N 119.811 -1.806 . . . . 0.0 113.05 -173.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 139.06 37.62 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 172.202 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -83.84 168.16 16.37 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 130.433 3.493 . . . . 0.0 111.374 -177.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -77.35 -24.87 50.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.536 1.934 . . . . 0.0 112.393 179.672 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -78.27 -4.21 46.75 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 130.336 3.454 . . . . 0.0 113.96 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.251 63.9 m-80 86.19 11.16 0.21 Allowed 'General case' 0 C--N 1.376 1.718 0 C-N-CA 127.783 2.433 . . . . 0.0 113.928 179.106 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.9 147.26 23.26 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.417 1.487 . . . . 0.0 111.567 178.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.11 111.1 17.93 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 167.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p -94.0 137.01 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.581 -168.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.635 0 CA-C-N 121.622 2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_