data_1hce_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 1hce _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 109.214 -0.662 . . . . 3.2999999999999998 109.214 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.685 ' O ' ' HA ' ' A' ' 35' ' ' HIS . . . -147.6 145.63 14.48 Favored Glycine 0 N--CA 1.502 3.047 0 C-N-CA 115.783 -3.103 . . . . 1.3 111.202 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -140.38 54.93 1.61 Allowed 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 123.671 1.701 . . . . 1.99 110.824 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -159.92 -95.1 0.03 OUTLIER 'General case' 1 C--N 1.244 -4.011 0 CA-C-N 113.511 -1.677 . . . . 3.2599999999999998 115.218 -179.89 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.76 ' HB2' ' HB2' ' A' ' 13' ' ' PHE . . . -160.42 173.08 16.14 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 117.139 -1.824 . . . . 1.1299999999999999 110.635 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.529 ' C ' ' HB3' ' A' ' 13' ' ' PHE . 2.4 m-30 -114.39 123.25 48.99 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 116.218 -0.446 . . . . 2.2400000000000002 110.279 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 113' ' ' PHE . 29.6 ttmt -79.66 130.04 35.01 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 118.564 -1.254 . . . . 2.27 109.649 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.601 ' OG ' ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -111.78 67.34 0.65 Allowed 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 106.103 -1.814 . . . . 2.0899999999999999 106.103 176.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 0.1 OUTLIER 61.82 177.87 0.12 Allowed 'General case' 0 C--O 1.253 1.262 0 CA-C-O 123.462 1.601 . . . . 4.0300000000000002 112.953 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' A' ' 97' ' ' HIS 0.252 6.6 t-80 59.14 -36.09 0.06 Allowed 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 112.463 -2.153 . . . . 5.7400000000000002 114.614 171.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . 130.1 4.41 4.59 Favored Glycine 0 C--N 1.289 -2.077 0 N-CA-C 110.429 -1.068 . . . . 1.9299999999999999 110.429 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.581 ' C ' ' HD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -111.45 149.24 31.56 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 121.04 2.42 . . . . 3.23 107.218 177.535 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.768 ' CE2' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -125.39 137.76 54.02 Favored 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 120.103 -0.639 . . . . 3.0 110.044 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD13 ' HE2' ' A' ' 113' ' ' PHE . 36.3 mt -51.0 130.45 25.66 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 107.058 -1.46 . . . . 1.28 107.058 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.2 t -138.32 -177.88 5.04 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 103.346 -2.835 . . . . 1.01 103.346 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.714 ' HB2' ' OG1' ' A' ' 32' ' ' THR . . . -109.55 171.31 7.52 Favored 'General case' 0 C--N 1.275 -2.645 0 N-CA-C 104.397 -2.446 . . . . 1.8799999999999999 104.397 176.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -172.48 123.95 0.47 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 119.943 -1.723 . . . . 3.1099999999999999 108.36 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.45 -125.76 39.02 Favored Glycine 1 N--CA 1.523 4.458 0 N-CA-C 109.264 -1.534 . . . . 2.46 109.264 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.9 37.43 2.55 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.802 -0.822 . . . . 4.1100000000000003 109.976 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.5 163.99 27.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.879 -1.138 . . . . 2.2999999999999998 111.893 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.5 t -88.39 138.79 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 114.939 -1.028 . . . . 2.0800000000000001 109.223 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.522 ' HB2' ' HE1' ' A' ' 24' ' ' HIS . 13.6 mmtp -139.82 -168.86 2.59 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.246 -1.02 . . . . 2.6899999999999999 108.246 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.9 p -135.83 126.42 27.05 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 107.376 -1.342 . . . . 1.3300000000000001 107.376 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.522 ' HE1' ' HB2' ' A' ' 22' ' ' LYS . 29.6 m80 -130.14 -179.83 5.46 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 118.774 -1.17 . . . . 3.3599999999999999 108.899 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -78.56 -100.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 102.874 -3.01 . . . . 3.6099999999999999 102.874 175.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.35 -92.97 0.25 Allowed Glycine 0 N--CA 1.498 2.797 1 N-CA-C 99.004 -5.638 . . . . 2.3799999999999999 99.004 173.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.703 ' CG ' ' H ' ' A' ' 28' ' ' HIS . 22.1 t60 75.31 -136.12 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 120.529 3.529 . . . . 6.5300000000000002 120.529 168.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.703 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 28.5 m-70 -84.52 168.46 15.4 Favored 'General case' 0 CA--C 1.444 -3.132 0 CA-C-O 124.72 2.2 . . . . 4.6299999999999999 111.659 -172.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.89 ' C ' ' CG ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 56.26 -118.36 1.2 Allowed 'General case' 1 C--N 1.24 -4.187 0 CA-C-N 109.688 -3.415 . . . . 4.21 115.398 174.391 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.89 ' CG ' ' C ' ' A' ' 29' ' ' ASP 0.835 0.0 OUTLIER 163.44 -145.29 0.0 OUTLIER 'General case' 0 C--O 1.205 -1.246 0 C-N-CA 114.745 -2.782 . . . . 5.9699999999999998 115.64 -159.229 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.698 ' CG ' ' HB2' ' A' ' 30' ' ' HIS . 34.7 m-70 45.73 26.51 0.36 Allowed 'General case' 0 CA--C 1.452 -2.82 1 CA-C-N 106.22 -4.991 . . . . 5.8899999999999997 120.893 156.127 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.714 ' OG1' ' HB2' ' A' ' 16' ' ' ALA . 4.0 t -163.52 38.01 0.09 Allowed 'General case' 1 C--N 1.216 -5.224 0 N-CA-C 104.08 -2.563 . . . . 3.4500000000000002 104.08 177.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -78.65 -175.77 4.54 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-N 112.031 -2.349 . . . . 2.3500000000000001 107.709 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.783 ' CD1' HG23 ' A' ' 47' ' ' THR 0.296 0.1 OUTLIER -141.42 135.59 30.51 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-O 123.541 1.639 . . . . 3.9700000000000002 108.582 -172.576 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.685 ' HA ' ' O ' ' A' ' 2' ' ' GLY . 0.8 OUTLIER -112.84 130.19 56.18 Favored 'General case' 0 N--CA 1.522 3.129 0 CA-C-N 113.137 -1.847 . . . . 2.3799999999999999 111.696 -175.475 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.534 HG21 ' HA3' ' A' ' 2' ' ' GLY 0.348 0.0 OUTLIER -100.34 140.5 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.953 0 N-CA-C 103.357 -2.831 . . . . 2.23 103.357 175.41 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -158.16 145.83 18.32 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 107.807 -1.183 . . . . 2.73 107.807 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.477 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -73.71 158.77 34.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.014 -1.678 . . . . 3.3999999999999999 113.373 -176.301 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 38' ' ' ASN . 8.8 m-70 -150.36 97.99 2.6 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.952 -1.022 . . . . 1.27 108.838 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.27 -125.55 28.57 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 110.405 -1.078 . . . . 1.98 110.405 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' HG3' ' A' ' 42' ' ' LYS . . . -74.06 0.55 52.25 Favored Glycine 0 N--CA 1.505 3.284 0 CA-C-O 119.087 -0.84 . . . . 1.72 113.742 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -144.66 -168.16 2.84 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 120.982 2.391 . . . . 2.4900000000000002 110.352 -178.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.67 ' O ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -124.48 152.37 30.39 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 CA-C-O 124.236 1.969 . . . . 1.75 110.472 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.455 ' CA ' HD22 ' A' ' 73' ' ' LEU . . . -116.01 146.72 41.92 Favored 'General case' 1 C--N 1.241 -4.143 0 CA-C-N 113.091 -1.868 . . . . 1.1299999999999999 113.178 178.45 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -103.57 124.61 49.11 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 102.717 -3.068 . . . . 2.1200000000000001 102.717 174.081 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.384 0.1 OUTLIER -141.46 117.23 10.4 Favored 'General case' 0 C--N 1.276 -2.608 0 N-CA-C 114.61 1.337 . . . . 4.3499999999999996 114.61 -173.476 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.783 HG23 ' CD1' ' A' ' 34' ' ' PHE . 3.4 p -84.33 151.18 24.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 115.22 -2.592 . . . . 2.48 105.696 172.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.797 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 10.6 t60 -32.82 39.31 0.0 OUTLIER 'General case' 0 CA--C 1.608 3.195 0 N-CA-C 118.88 2.918 . . . . 4.7699999999999996 118.88 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.679 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.9 OUTLIER 156.64 8.89 0.0 OUTLIER 'General case' 1 N--CA 1.551 4.617 1 O-C-N 116.172 -4.08 . . . . 5.71 117.378 174.37 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.584 ' O ' ' HG3' ' A' ' 51' ' ' LYS . . . 161.6 13.0 0.03 OUTLIER Glycine 0 N--CA 1.498 2.828 0 C-N-CA 115.478 -3.248 . . . . 3.3199999999999998 112.146 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' ' 50' ' ' GLY 0.308 9.0 mttp -142.92 131.87 22.92 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 115.16 -2.616 . . . . 3.9700000000000002 111.526 -170.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 45' ' ' LEU . 7.3 m-85 -124.71 132.27 53.4 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 114.913 -1.04 . . . . 2.3999999999999999 109.931 -175.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.934 ' HB3' ' CE1' ' A' ' 74' ' ' PHE . 2.6 tp -39.17 136.43 0.85 Allowed 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 119.059 0.845 . . . . 1.0900000000000001 110.555 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 64' ' ' SER . 20.4 m -143.89 150.99 39.26 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.042 -1.063 . . . . 0.89000000000000001 108.846 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.857 HG22 HG21 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -127.72 140.0 50.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 C-N-CA 119.497 -0.881 . . . . 1.53 108.728 179.417 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.46 -135.72 8.58 Favored Glycine 0 CA--C 1.553 2.458 0 N-CA-C 103.271 -3.932 . . . . 1.5 103.271 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -124.4 -158.9 0.84 Allowed 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 122.294 3.047 . . . . 2.8700000000000001 103.961 175.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' C ' ' CG ' ' A' ' 59' ' ' LYS 0.251 0.9 OUTLIER 43.87 43.69 5.35 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.754 -1.178 . . . . 4.3799999999999999 112.926 173.307 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER 49.91 43.31 25.15 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.727 -1.233 . . . . 4.2400000000000002 111.171 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -115.1 133.03 56.39 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 105.372 -2.084 . . . . 2.8799999999999999 105.372 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.857 HG21 HG22 ' A' ' 55' ' ' ILE 0.269 0.3 OUTLIER -136.18 134.07 50.16 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.845 0 C-N-CA 117.907 -1.517 . . . . 2.1800000000000002 112.773 -173.306 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -148.25 -151.01 0.37 Allowed 'General case' 0 N--CA 1.504 2.273 0 CA-C-N 114.437 -1.256 . . . . 2.4100000000000001 112.024 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD11 ' HG2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -146.72 129.33 16.05 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.846 -0.534 . . . . 2.23 109.878 -177.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.472 ' N ' ' OG ' ' A' ' 54' ' ' SER . 9.1 t -107.82 -167.14 1.21 Allowed 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 122.163 0.982 . . . . 1.1899999999999999 112.248 -178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -89.4 -165.35 1.32 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.463 1.125 . . . . 3.4199999999999999 111.766 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.425 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 28.7 p-80 -68.1 151.34 47.17 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.627 -1.249 . . . . 2.9100000000000001 107.627 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.703 HD23 ' CB ' ' A' ' 72' ' ' SER . 0.0 OUTLIER 174.49 170.28 0.24 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.437 0.637 . . . . 2.52 110.667 -177.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.548 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 1.6 m170 -121.51 144.58 48.63 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 108.979 -0.749 . . . . 5.1600000000000001 108.979 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.36 -149.91 20.09 Favored Glycine 0 C--N 1.296 -1.663 0 N-CA-C 109.061 -1.615 . . . . 1.7 109.061 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.667 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 2.4 t70 -126.28 -179.4 4.72 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 113.068 -1.566 . . . . 1.9099999999999999 107.143 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.667 ' HB2' ' O ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER 84.5 -51.69 0.11 Allowed 'General case' 1 N--CA 1.557 4.879 0 CA-C-N 122.612 2.46 . . . . 3.25 105.653 178.212 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.703 ' CB ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -100.13 -61.06 1.42 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 104.766 -2.309 . . . . 1.78 104.766 -175.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.752 HD21 ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -85.76 157.6 20.22 Favored 'General case' 0 C--N 1.3 -1.551 1 N-CA-C 99.427 -4.286 . . . . 1.77 99.427 172.328 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.934 ' CE1' ' HB3' ' A' ' 53' ' ' LEU . 69.4 m-85 -132.26 177.04 7.88 Favored 'General case' 1 C--N 1.219 -5.073 0 N-CA-C 115.504 1.668 . . . . 2.0499999999999998 115.504 -170.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -128.47 110.56 12.42 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 104.196 -2.52 . . . . 2.1499999999999999 104.196 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 1.337 ' HG ' ' CD2' ' A' ' 76' ' ' LEU 0.439 0.0 OUTLIER -129.68 146.53 51.45 Favored 'General case' 0 C--N 1.245 -3.974 0 N-CA-C 105.88 -1.896 . . . . 1.51 105.88 -173.573 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' N ' HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -147.69 154.01 40.03 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.436 -0.79 . . . . 3.0499999999999998 110.879 -170.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -76.24 175.9 8.59 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 121.658 0.742 . . . . 1.0900000000000001 110.956 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -158.19 78.52 0.82 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.53 -0.868 . . . . 1.23 111.524 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.84 -77.56 0.4 Allowed Glycine 0 N--CA 1.496 2.683 0 N-CA-C 107.514 -2.234 . . . . 1.1000000000000001 107.514 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.26 -10.43 3.04 Favored Glycine 0 C--O 1.198 -2.113 0 N-CA-C 108.238 -1.945 . . . . 1.0800000000000001 108.238 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.94 -156.7 0.59 Allowed 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 120.343 -1.68 . . . . 2.5099999999999998 112.188 -175.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.601 ' HB ' ' O ' ' A' ' 113' ' ' PHE . 0.9 OUTLIER -144.68 161.64 14.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 CA-C-N 114.166 -1.379 . . . . 1.8200000000000001 109.262 -174.184 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 5.1 m -148.66 132.37 16.91 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.798 -1.092 . . . . 1.24 109.575 172.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.512 HD12 ' CE2' ' A' ' 6' ' ' PHE . 55.6 mt -113.19 133.54 58.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.848 0 CA-C-N 115.268 -0.878 . . . . 1.0800000000000001 109.194 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.544 ' HD3' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -138.86 142.31 38.62 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 119.091 -1.044 . . . . 2.2400000000000002 112.201 -177.266 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.544 ' O ' ' HD3' ' A' ' 86' ' ' LYS . . . -131.46 -141.95 4.9 Favored Glycine 0 CA--C 1.555 2.589 0 C-N-CA 119.629 -1.272 . . . . 1.4099999999999999 110.482 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 89' ' ' HIS . 25.0 t-80 -56.32 171.35 0.29 Allowed 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.208 -1.76 . . . . 3.6000000000000001 114.012 -176.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.923 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . 0.1 OUTLIER 52.46 19.87 1.29 Allowed 'General case' 0 N--CA 1.516 2.837 0 CA-C-N 113.595 -1.639 . . . . 3.3500000000000001 113.754 175.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.13 20.83 10.22 Favored 'General case' 0 C--N 1.273 -2.737 0 C-N-CA 119.902 -0.719 . . . . 3.52 110.202 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.923 ' CE1' ' HB2' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -95.82 155.38 16.78 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 119.968 -1.707 . . . . 3.6699999999999999 110.163 177.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.423 ' O ' ' HB ' ' A' ' 103' ' ' THR . 25.5 m-85 -108.27 174.51 5.85 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 104.587 -2.375 . . . . 2.02 104.587 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.476 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 mm -89.6 154.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 106.487 -1.671 . . . . 2.29 106.487 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' HG23 ' A' ' 93' ' ' ILE . 1.6 t -132.29 154.18 49.94 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-O 123.153 1.454 . . . . 1.0700000000000001 111.419 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.8 108.24 4.28 Favored 'General case' 0 C--N 1.274 -2.716 0 N-CA-C 103.673 -2.714 . . . . 1.1499999999999999 103.673 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 97' ' ' HIS . 2.6 t70 -126.67 123.16 36.9 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 117.772 -1.571 . . . . 2.5499999999999998 109.029 -177.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' A' ' 10' ' ' HIS 0.313 0.3 OUTLIER -24.33 -55.5 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 123.382 1.563 . . . . 5.2599999999999998 110.909 176.969 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -73.98 -37.09 64.58 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 112.451 -2.159 . . . . 4.8700000000000001 115.739 -174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.633 ' O ' ' CD2' ' A' ' 100' ' ' HIS . . . -121.84 27.23 6.27 Favored Glycine 0 N--CA 1.483 1.773 0 C-N-CA 118.223 -1.941 . . . . 3.9300000000000002 111.547 -176.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 99' ' ' GLY . 6.6 p-80 51.35 -140.13 0.9 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 117.601 0.701 . . . . 4.2000000000000002 109.823 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.7 t -99.99 136.08 32.87 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 122.393 1.092 . . . . 1.8 112.196 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.428 ' O ' HG21 ' A' ' 103' ' ' THR . 57.8 m -160.3 -153.79 0.35 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 104.901 -2.259 . . . . 1.6899999999999999 104.901 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.443 ' OG1' ' HD2' ' A' ' 91' ' ' HIS . 69.1 p -141.2 154.44 45.81 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.627 -1.296 . . . . 1.5700000000000001 109.383 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.647 ' HB2' HG23 ' A' ' 111' ' ' THR . 17.0 mtpt -134.6 149.66 50.61 Favored 'General case' 0 C--N 1.276 -2.625 0 C-N-CA 118.546 -1.261 . . . . 2.3199999999999998 112.858 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -74.27 -34.87 63.7 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.27 -1.332 . . . . 2.02 107.829 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -68.14 169.98 9.33 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-O 121.977 0.894 . . . . 4.2800000000000002 110.261 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -156.76 108.09 2.41 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 122.178 0.99 . . . . 3.6499999999999999 109.96 179.49 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' A' ' 109' ' ' HIS . 8.3 p-10 -151.81 -83.04 0.09 Allowed 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 108.037 -1.097 . . . . 2.3700000000000001 108.037 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.494 ' H ' ' CG ' ' A' ' 108' ' ' ASP 0.261 18.7 m80 -125.78 -51.27 1.59 Allowed 'General case' 0 N--CA 1.517 2.909 0 N-CA-C 106.94 -1.504 . . . . 3.6099999999999999 106.94 175.176 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.9 -27.44 0.35 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.581 -0.736 . . . . 2.1099999999999999 110.615 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.647 HG23 ' HB2' ' A' ' 104' ' ' LYS . 6.7 p -119.75 32.16 6.2 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.65 -0.871 . . . . 1.6799999999999999 108.65 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.582 ' C ' ' HD1' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -142.0 123.98 15.34 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 107.468 -1.308 . . . . 1.1100000000000001 107.468 -178.286 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.668 ' HE2' HD13 ' A' ' 14' ' ' LEU 0.293 1.0 OUTLIER -119.18 177.99 4.68 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 113.299 0.851 . . . . 2.1200000000000001 113.299 -171.903 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 7' ' ' LYS 0.407 6.0 mm-40 -95.76 172.97 7.7 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 104.697 -2.334 . . . . 2.6400000000000001 104.697 172.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -111.92 122.38 47.6 Favored 'General case' 0 C--N 1.256 -3.457 0 CA-C-N 112.691 -2.049 . . . . 2.29 109.044 173.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.768 HD13 ' CE2' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -114.05 135.81 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 119.843 -1.786 . . . . 2.2799999999999998 107.071 178.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -152.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 113.672 -1.604 . . . . 1.6799999999999999 111.43 -176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.618 ' O ' HG12 ' A' ' 118' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.241 0 CA-C-N 114.516 -1.22 . . . . 1.8300000000000001 109.253 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 109.214 -0.662 . . . . 2.96 109.214 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.703 ' O ' ' HA ' ' A' ' 35' ' ' HIS . . . -147.6 145.63 14.48 Favored Glycine 0 N--CA 1.502 3.047 0 C-N-CA 115.783 -3.103 . . . . 0.85 111.202 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.6 ' HB3' HD12 ' A' ' 118' ' ' ILE . 22.5 t-20 -140.38 54.93 1.61 Allowed 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 123.671 1.701 . . . . 1.42 110.824 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -159.92 -95.1 0.03 OUTLIER 'General case' 1 C--N 1.244 -4.011 0 CA-C-N 113.511 -1.677 . . . . 2.66 115.218 -179.89 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.571 ' HB3' ' HD2' ' A' ' 13' ' ' PHE . . . -160.42 173.08 16.14 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 117.139 -1.824 . . . . 0.42 110.635 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.816 ' CD2' HD11 ' A' ' 85' ' ' ILE . 2.4 m-30 -114.39 123.25 48.99 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 116.218 -0.446 . . . . 1.31 110.279 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.568 ' HB3' ' HB2' ' A' ' 114' ' ' GLU . 29.6 ttmt -79.66 130.04 35.01 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 118.564 -1.254 . . . . 1.72 109.649 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.601 ' OG ' ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -111.78 67.34 0.65 Allowed 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 106.103 -1.814 . . . . 1.52 106.103 176.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 61.82 177.87 0.12 Allowed 'General case' 0 C--O 1.253 1.262 0 CA-C-O 123.462 1.601 . . . . 3.18 112.953 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 9' ' ' HIS 0.252 6.6 t-80 59.14 -36.09 0.06 Allowed 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 112.463 -2.153 . . . . 5.11 114.614 171.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' HIS . . . 130.1 4.41 4.59 Favored Glycine 0 C--N 1.289 -2.077 0 N-CA-C 110.429 -1.068 . . . . 1.53 110.429 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.596 ' C ' ' HD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -111.45 149.24 31.56 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 121.04 2.42 . . . . 2.52 107.218 177.535 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.709 ' CE2' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -125.39 137.76 54.02 Favored 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 120.103 -0.639 . . . . 2.07 110.044 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.67 HD11 ' HE2' ' A' ' 113' ' ' PHE . 36.3 mt -51.0 130.45 25.66 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 107.058 -1.46 . . . . 0.48 107.058 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.2 t -138.32 -177.88 5.04 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 103.346 -2.835 . . . . 0.81 103.346 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.674 ' C ' ' OG1' ' A' ' 32' ' ' THR . . . -109.55 171.31 7.52 Favored 'General case' 0 C--N 1.275 -2.645 0 N-CA-C 104.397 -2.446 . . . . 1.3 104.397 176.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -172.48 123.95 0.47 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 119.943 -1.723 . . . . 3.11 108.36 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.45 -125.76 39.02 Favored Glycine 1 N--CA 1.523 4.458 0 N-CA-C 109.264 -1.534 . . . . 2.26 109.264 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.9 37.43 2.55 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.802 -0.822 . . . . 4.11 109.976 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.5 163.99 27.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.879 -1.138 . . . . 1.69 111.893 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.5 t -88.39 138.79 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 114.939 -1.028 . . . . 1.59 109.223 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -139.82 -168.86 2.59 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.246 -1.02 . . . . 2.25 108.246 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.9 p -135.83 126.42 27.05 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 107.376 -1.342 . . . . 0.73 107.376 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -130.14 -179.83 5.46 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 118.774 -1.17 . . . . 2.53 108.899 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -78.56 -100.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 102.874 -3.01 . . . . 2.97 102.874 175.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.35 -92.97 0.25 Allowed Glycine 0 N--CA 1.498 2.797 1 N-CA-C 99.004 -5.638 . . . . 2.38 99.004 173.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.664 ' CG ' ' H ' ' A' ' 28' ' ' HIS . 31.7 t60 75.31 -136.12 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 120.529 3.529 . . . . 5.78 120.529 168.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.664 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 9.5 m80 -84.52 168.46 15.4 Favored 'General case' 0 CA--C 1.444 -3.132 0 CA-C-O 124.72 2.2 . . . . 4.62 111.659 -172.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.89 ' C ' ' CG ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 56.26 -118.36 1.2 Allowed 'General case' 1 C--N 1.24 -4.187 0 CA-C-N 109.688 -3.415 . . . . 4.21 115.398 174.391 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.89 ' CG ' ' C ' ' A' ' 29' ' ' ASP 0.835 0.0 OUTLIER 163.44 -145.29 0.0 OUTLIER 'General case' 0 C--O 1.205 -1.246 0 C-N-CA 114.745 -2.782 . . . . 5.46 115.64 -159.229 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.811 ' CG ' ' HB2' ' A' ' 30' ' ' HIS . 21.4 m170 45.73 26.51 0.36 Allowed 'General case' 0 CA--C 1.452 -2.82 1 CA-C-N 106.22 -4.991 . . . . 5.42 120.893 156.127 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 30' ' ' HIS . 4.0 t -163.52 38.01 0.09 Allowed 'General case' 1 C--N 1.216 -5.224 0 N-CA-C 104.08 -2.563 . . . . 2.94 104.08 177.524 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -78.65 -175.77 4.54 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-N 112.031 -2.349 . . . . 1.61 107.709 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.789 ' CD1' HG22 ' A' ' 47' ' ' THR 0.296 0.1 OUTLIER -141.42 135.59 30.51 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-O 123.541 1.639 . . . . 3.19 108.582 -172.576 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.703 ' HA ' ' O ' ' A' ' 2' ' ' GLY . 0.8 OUTLIER -112.84 130.19 56.18 Favored 'General case' 0 N--CA 1.522 3.129 0 CA-C-N 113.137 -1.847 . . . . 1.68 111.696 -175.475 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.486 HG23 ' HA3' ' A' ' 2' ' ' GLY 0.348 0.0 OUTLIER -100.34 140.5 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.953 0 N-CA-C 103.357 -2.831 . . . . 1.57 103.357 175.41 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -158.16 145.83 18.32 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 107.807 -1.183 . . . . 2.73 107.807 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.71 158.77 34.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.014 -1.678 . . . . 2.67 113.373 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -150.36 97.99 2.6 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.952 -1.022 . . . . 1.09 108.838 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.27 -125.55 28.57 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 110.405 -1.078 . . . . 1.98 110.405 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 42' ' ' LYS . . . -74.06 0.55 52.25 Favored Glycine 0 N--CA 1.505 3.284 0 CA-C-O 119.087 -0.84 . . . . 1.18 113.742 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -144.66 -168.16 2.84 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 120.982 2.391 . . . . 1.98 110.352 -178.519 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.77 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -124.48 152.37 30.39 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 CA-C-O 124.236 1.969 . . . . 1.03 110.472 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.408 ' HB2' ' HG ' ' A' ' 73' ' ' LEU . . . -116.01 146.72 41.92 Favored 'General case' 1 C--N 1.241 -4.143 0 CA-C-N 113.091 -1.868 . . . . 0.54 113.178 178.45 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -103.57 124.61 49.11 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 102.717 -3.068 . . . . 1.46 102.717 174.081 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 52' ' ' TYR 0.384 0.1 OUTLIER -141.46 117.23 10.4 Favored 'General case' 0 C--N 1.276 -2.608 0 N-CA-C 114.61 1.337 . . . . 3.76 114.61 -173.476 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.789 HG22 ' CD1' ' A' ' 34' ' ' PHE . 3.4 p -84.33 151.18 24.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 115.22 -2.592 . . . . 2.32 105.696 172.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.797 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 10.6 t60 -32.82 39.31 0.0 OUTLIER 'General case' 0 CA--C 1.608 3.195 0 N-CA-C 118.88 2.918 . . . . 4.6 118.88 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.679 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.9 OUTLIER 156.64 8.89 0.0 OUTLIER 'General case' 1 N--CA 1.551 4.617 1 O-C-N 116.172 -4.08 . . . . 5.45 117.378 174.37 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.599 ' O ' ' HG3' ' A' ' 51' ' ' LYS . . . 161.6 13.0 0.03 OUTLIER Glycine 0 N--CA 1.498 2.828 0 C-N-CA 115.478 -3.248 . . . . 2.67 112.146 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 50' ' ' GLY 0.308 9.0 mttp -142.92 131.87 22.92 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 115.16 -2.616 . . . . 3.59 111.526 -170.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 46' ' ' LYS . 7.3 m-85 -124.71 132.27 53.4 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 114.913 -1.04 . . . . 1.54 109.931 -175.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.961 ' HB3' ' CE1' ' A' ' 74' ' ' PHE . 2.6 tp -39.17 136.43 0.85 Allowed 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 119.059 0.845 . . . . 0.46 110.555 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 64' ' ' SER . 20.4 m -143.89 150.99 39.26 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.042 -1.063 . . . . 0.41 108.846 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.982 HG23 HG23 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -127.72 140.0 50.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 C-N-CA 119.497 -0.881 . . . . 0.9 108.728 179.417 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.46 -135.72 8.58 Favored Glycine 0 CA--C 1.553 2.458 0 N-CA-C 103.271 -3.932 . . . . 1.5 103.271 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -124.4 -158.9 0.84 Allowed 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 122.294 3.047 . . . . 2.87 103.961 175.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' C ' ' CG ' ' A' ' 59' ' ' LYS 0.251 0.9 OUTLIER 43.87 43.69 5.35 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.754 -1.178 . . . . 4.28 112.926 173.307 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER 49.91 43.31 25.15 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.727 -1.233 . . . . 3.83 111.171 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -115.1 133.03 56.39 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 105.372 -2.084 . . . . 2.18 105.372 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.982 HG23 HG23 ' A' ' 55' ' ' ILE 0.269 0.3 OUTLIER -136.18 134.07 50.16 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.845 0 C-N-CA 117.907 -1.517 . . . . 1.53 112.773 -173.306 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -148.25 -151.01 0.37 Allowed 'General case' 0 N--CA 1.504 2.273 0 CA-C-N 114.437 -1.256 . . . . 1.56 112.024 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.72 129.33 16.05 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.846 -0.534 . . . . 1.63 109.878 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 9.1 t -107.82 -167.14 1.21 Allowed 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 122.163 0.982 . . . . 0.88 112.248 -178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -89.4 -165.35 1.32 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.463 1.125 . . . . 2.67 111.766 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 28.7 p-80 -68.1 151.34 47.17 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.627 -1.249 . . . . 2.35 107.627 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.924 HD21 ' CB ' ' A' ' 72' ' ' SER . 0.0 OUTLIER 174.49 170.28 0.24 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.437 0.637 . . . . 2.07 110.667 -177.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.578 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 1.9 m-70 -121.51 144.58 48.63 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 108.979 -0.749 . . . . 4.41 108.979 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' O ' HD13 ' A' ' 73' ' ' LEU . . . 135.36 -149.91 20.09 Favored Glycine 0 C--N 1.296 -1.663 0 N-CA-C 109.061 -1.615 . . . . 1.7 109.061 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 2.4 t70 -126.28 -179.4 4.72 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 113.068 -1.566 . . . . 1.91 107.143 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.625 ' HB2' ' O ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER 84.5 -51.69 0.11 Allowed 'General case' 1 N--CA 1.557 4.879 0 CA-C-N 122.612 2.46 . . . . 2.55 105.653 178.212 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.924 ' CB ' HD21 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -100.13 -61.06 1.42 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 104.766 -2.309 . . . . 1.39 104.766 -175.588 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -85.76 157.6 20.22 Favored 'General case' 0 C--N 1.3 -1.551 1 N-CA-C 99.427 -4.286 . . . . 1.07 99.427 172.328 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.961 ' CE1' ' HB3' ' A' ' 53' ' ' LEU . 69.4 m-85 -132.26 177.04 7.88 Favored 'General case' 1 C--N 1.219 -5.073 0 N-CA-C 115.504 1.668 . . . . 1.21 115.504 -170.078 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -128.47 110.56 12.42 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 104.196 -2.52 . . . . 1.2 104.196 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.929 ' HG ' HG12 ' A' ' 85' ' ' ILE 0.439 0.0 OUTLIER -129.68 146.53 51.45 Favored 'General case' 0 C--N 1.245 -3.974 0 N-CA-C 105.88 -1.896 . . . . 0.87 105.88 -173.573 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -147.69 154.01 40.03 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.436 -0.79 . . . . 3.05 110.879 -170.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -76.24 175.9 8.59 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 121.658 0.742 . . . . 1.05 110.956 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' GLY . 2.5 t-80 -158.19 78.52 0.82 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.53 -0.868 . . . . 1.12 111.524 -177.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.84 -77.56 0.4 Allowed Glycine 0 N--CA 1.496 2.683 0 N-CA-C 107.514 -2.234 . . . . 1.08 107.514 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' HIS . . . -129.26 -10.43 3.04 Favored Glycine 0 C--O 1.198 -2.113 0 N-CA-C 108.238 -1.945 . . . . 0.56 108.238 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.94 -156.7 0.59 Allowed 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 120.343 -1.68 . . . . 1.97 112.188 -175.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 113' ' ' PHE . 0.9 OUTLIER -144.68 161.64 14.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 CA-C-N 114.166 -1.379 . . . . 1.09 109.262 -174.184 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 5.1 m -148.66 132.37 16.91 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.798 -1.092 . . . . 0.81 109.575 172.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.929 HG12 ' HG ' ' A' ' 76' ' ' LEU . 55.6 mt -113.19 133.54 58.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.848 0 CA-C-N 115.268 -0.878 . . . . 0.37 109.194 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.557 ' HD3' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -138.86 142.31 38.62 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 119.091 -1.044 . . . . 1.59 112.201 -177.266 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.557 ' O ' ' HD3' ' A' ' 86' ' ' LYS . . . -131.46 -141.95 4.9 Favored Glycine 0 CA--C 1.555 2.589 0 C-N-CA 119.629 -1.272 . . . . 0.98 110.482 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.493 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 25.0 t-80 -56.32 171.35 0.29 Allowed 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.208 -1.76 . . . . 3.02 114.012 -176.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.764 ' HB2' ' NE2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER 52.46 19.87 1.29 Allowed 'General case' 0 N--CA 1.516 2.837 0 CA-C-N 113.595 -1.639 . . . . 2.83 113.754 175.227 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.13 20.83 10.22 Favored 'General case' 0 C--N 1.273 -2.737 0 C-N-CA 119.902 -0.719 . . . . 2.8 110.202 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.764 ' NE2' ' HB2' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -95.82 155.38 16.78 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 119.968 -1.707 . . . . 3.47 110.163 177.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 25.5 m-85 -108.27 174.51 5.85 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 104.587 -2.375 . . . . 1.18 104.587 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.655 ' HA ' HG22 ' A' ' 103' ' ' THR . 1.3 mm -89.6 154.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 106.487 -1.671 . . . . 1.78 106.487 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.58 ' N ' HG22 ' A' ' 93' ' ' ILE . 1.6 t -132.29 154.18 49.94 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-O 123.153 1.454 . . . . 0.44 111.419 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB3' ' OG ' ' A' ' 8' ' ' SER . . . -146.8 108.24 4.28 Favored 'General case' 0 C--N 1.274 -2.716 0 N-CA-C 103.673 -2.714 . . . . 0.7 103.673 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 97' ' ' HIS . 2.6 t70 -126.67 123.16 36.9 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 117.772 -1.571 . . . . 2.55 109.029 -177.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 96' ' ' ASP 0.313 0.1 OUTLIER -24.33 -55.5 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 123.382 1.563 . . . . 4.67 110.909 176.969 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -73.98 -37.09 64.58 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 112.451 -2.159 . . . . 4.75 115.739 -174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.562 ' O ' ' CG ' ' A' ' 100' ' ' HIS . . . -121.84 27.23 6.27 Favored Glycine 0 N--CA 1.483 1.773 0 C-N-CA 118.223 -1.941 . . . . 3.25 111.547 -176.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 99' ' ' GLY . 17.1 p80 51.35 -140.13 0.9 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 117.601 0.701 . . . . 3.49 109.823 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.7 t -99.99 136.08 32.87 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 122.393 1.092 . . . . 1.24 112.196 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.8 m -160.3 -153.79 0.35 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 104.901 -2.259 . . . . 1.24 104.901 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 93' ' ' ILE . 69.1 p -141.2 154.44 45.81 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.627 -1.296 . . . . 1.07 109.383 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HB2' HG21 ' A' ' 111' ' ' THR . 17.0 mtpt -134.6 149.66 50.61 Favored 'General case' 0 C--N 1.276 -2.625 0 C-N-CA 118.546 -1.261 . . . . 1.82 112.858 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -74.27 -34.87 63.7 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.27 -1.332 . . . . 2.02 107.829 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -68.14 169.98 9.33 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-O 121.977 0.894 . . . . 3.7 110.261 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -156.76 108.09 2.41 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 122.178 0.99 . . . . 3.04 109.96 179.49 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 109' ' ' HIS . 8.3 p-10 -151.81 -83.04 0.09 Allowed 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 108.037 -1.097 . . . . 2.37 108.037 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.481 ' H ' ' CG ' ' A' ' 108' ' ' ASP 0.261 18.7 m80 -125.78 -51.27 1.59 Allowed 'General case' 0 N--CA 1.517 2.909 0 N-CA-C 106.94 -1.504 . . . . 2.86 106.94 175.176 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.9 -27.44 0.35 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.581 -0.736 . . . . 2.11 110.615 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.466 HG21 ' HB2' ' A' ' 104' ' ' LYS . 6.7 p -119.75 32.16 6.2 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.65 -0.871 . . . . 1.37 108.65 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.602 ' C ' ' HD1' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -142.0 123.98 15.34 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 107.468 -1.308 . . . . 0.49 107.468 -178.286 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.67 ' HE2' HD11 ' A' ' 14' ' ' LEU 0.293 1.0 OUTLIER -119.18 177.99 4.68 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 113.299 0.851 . . . . 1.24 113.299 -171.903 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 7' ' ' LYS 0.407 6.0 mm-40 -95.76 172.97 7.7 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 104.697 -2.334 . . . . 2.64 104.697 172.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -111.92 122.38 47.6 Favored 'General case' 0 C--N 1.256 -3.457 0 CA-C-N 112.691 -2.049 . . . . 2.29 109.044 173.309 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.709 HD12 ' CE2' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -114.05 135.81 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 119.843 -1.786 . . . . 1.68 107.071 178.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.65 HG22 HD13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -115.12 -152.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 113.672 -1.604 . . . . 1.07 111.43 -176.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.799 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.241 0 CA-C-N 114.516 -1.22 . . . . 1.83 109.253 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 109.214 -0.662 . . . . 2.96 109.214 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.703 ' O ' ' HA ' ' A' ' 35' ' ' HIS . . . -147.6 145.63 14.48 Favored Glycine 0 N--CA 1.502 3.047 0 C-N-CA 115.783 -3.103 . . . . 0.85 111.202 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.6 ' HB3' HD12 ' A' ' 118' ' ' ILE . 22.5 t-20 -140.38 54.93 1.61 Allowed 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 123.671 1.701 . . . . 1.42 110.824 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -159.92 -95.1 0.03 OUTLIER 'General case' 1 C--N 1.244 -4.011 0 CA-C-N 113.511 -1.677 . . . . 2.66 115.218 -179.89 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.571 ' HB3' ' HD2' ' A' ' 13' ' ' PHE . . . -160.42 173.08 16.14 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 117.139 -1.824 . . . . 0.42 110.635 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.816 ' CD2' HD11 ' A' ' 85' ' ' ILE . 2.4 m-30 -114.39 123.25 48.99 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 116.218 -0.446 . . . . 1.31 110.279 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.568 ' HB3' ' HB2' ' A' ' 114' ' ' GLU . 29.6 ttmt -79.66 130.04 35.01 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 118.564 -1.254 . . . . 1.72 109.649 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.601 ' OG ' ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -111.78 67.34 0.65 Allowed 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 106.103 -1.814 . . . . 1.52 106.103 176.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 61.82 177.87 0.12 Allowed 'General case' 0 C--O 1.253 1.262 0 CA-C-O 123.462 1.601 . . . . 3.18 112.953 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' A' ' 97' ' ' HIS 0.252 6.6 t-80 59.14 -36.09 0.06 Allowed 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 112.463 -2.153 . . . . 5.11 114.614 171.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' HIS . . . 130.1 4.41 4.59 Favored Glycine 0 C--N 1.289 -2.077 0 N-CA-C 110.429 -1.068 . . . . 1.53 110.429 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.596 ' C ' ' HD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -111.45 149.24 31.56 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 121.04 2.42 . . . . 2.52 107.218 177.535 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.709 ' CE2' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -125.39 137.76 54.02 Favored 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 120.103 -0.639 . . . . 2.07 110.044 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.67 HD11 ' HE2' ' A' ' 113' ' ' PHE . 36.3 mt -51.0 130.45 25.66 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 107.058 -1.46 . . . . 0.48 107.058 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.2 t -138.32 -177.88 5.04 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 103.346 -2.835 . . . . 0.81 103.346 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.674 ' C ' ' OG1' ' A' ' 32' ' ' THR . . . -109.55 171.31 7.52 Favored 'General case' 0 C--N 1.275 -2.645 0 N-CA-C 104.397 -2.446 . . . . 1.3 104.397 176.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -172.48 123.95 0.47 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 119.943 -1.723 . . . . 3.11 108.36 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.45 -125.76 39.02 Favored Glycine 1 N--CA 1.523 4.458 0 N-CA-C 109.264 -1.534 . . . . 2.26 109.264 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.9 37.43 2.55 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.802 -0.822 . . . . 4.11 109.976 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.5 163.99 27.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.879 -1.138 . . . . 1.69 111.893 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.5 t -88.39 138.79 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 114.939 -1.028 . . . . 1.59 109.223 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.552 ' HB2' ' HE1' ' A' ' 24' ' ' HIS . 13.6 mmtp -139.82 -168.86 2.59 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.246 -1.02 . . . . 2.25 108.246 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.9 p -135.83 126.42 27.05 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 107.376 -1.342 . . . . 0.73 107.376 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.552 ' HE1' ' HB2' ' A' ' 22' ' ' LYS . 29.6 m80 -130.14 -179.83 5.46 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 118.774 -1.17 . . . . 2.53 108.899 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -78.56 -100.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 102.874 -3.01 . . . . 2.97 102.874 175.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.35 -92.97 0.25 Allowed Glycine 0 N--CA 1.498 2.797 1 N-CA-C 99.004 -5.638 . . . . 2.38 99.004 173.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.664 ' CG ' ' H ' ' A' ' 28' ' ' HIS . 22.1 t60 75.31 -136.12 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 120.529 3.529 . . . . 5.78 120.529 168.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.664 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 28.5 m-70 -84.52 168.46 15.4 Favored 'General case' 0 CA--C 1.444 -3.132 0 CA-C-O 124.72 2.2 . . . . 4.62 111.659 -172.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.89 ' C ' ' CG ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 56.26 -118.36 1.2 Allowed 'General case' 1 C--N 1.24 -4.187 0 CA-C-N 109.688 -3.415 . . . . 4.21 115.398 174.391 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.89 ' CG ' ' C ' ' A' ' 29' ' ' ASP 0.835 0.0 OUTLIER 163.44 -145.29 0.0 OUTLIER 'General case' 0 C--O 1.205 -1.246 0 C-N-CA 114.745 -2.782 . . . . 5.46 115.64 -159.229 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.811 ' CG ' ' HB2' ' A' ' 30' ' ' HIS . 34.7 m-70 45.73 26.51 0.36 Allowed 'General case' 0 CA--C 1.452 -2.82 1 CA-C-N 106.22 -4.991 . . . . 5.42 120.893 156.127 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 30' ' ' HIS . 4.0 t -163.52 38.01 0.09 Allowed 'General case' 1 C--N 1.216 -5.224 0 N-CA-C 104.08 -2.563 . . . . 2.94 104.08 177.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -78.65 -175.77 4.54 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-N 112.031 -2.349 . . . . 1.61 107.709 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.789 ' CD1' HG22 ' A' ' 47' ' ' THR 0.296 0.1 OUTLIER -141.42 135.59 30.51 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-O 123.541 1.639 . . . . 3.19 108.582 -172.576 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.703 ' HA ' ' O ' ' A' ' 2' ' ' GLY . 0.8 OUTLIER -112.84 130.19 56.18 Favored 'General case' 0 N--CA 1.522 3.129 0 CA-C-N 113.137 -1.847 . . . . 1.68 111.696 -175.475 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.486 HG23 ' HA3' ' A' ' 2' ' ' GLY 0.348 0.0 OUTLIER -100.34 140.5 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.953 0 N-CA-C 103.357 -2.831 . . . . 1.57 103.357 175.41 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -158.16 145.83 18.32 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 107.807 -1.183 . . . . 2.73 107.807 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.477 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -73.71 158.77 34.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.014 -1.678 . . . . 2.67 113.373 -176.301 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 38' ' ' ASN . 8.8 m-70 -150.36 97.99 2.6 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.952 -1.022 . . . . 1.09 108.838 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.27 -125.55 28.57 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 110.405 -1.078 . . . . 1.98 110.405 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 42' ' ' LYS . . . -74.06 0.55 52.25 Favored Glycine 0 N--CA 1.505 3.284 0 CA-C-O 119.087 -0.84 . . . . 1.18 113.742 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -144.66 -168.16 2.84 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 120.982 2.391 . . . . 1.98 110.352 -178.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.77 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -124.48 152.37 30.39 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 CA-C-O 124.236 1.969 . . . . 1.03 110.472 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.408 ' HB2' ' HG ' ' A' ' 73' ' ' LEU . . . -116.01 146.72 41.92 Favored 'General case' 1 C--N 1.241 -4.143 0 CA-C-N 113.091 -1.868 . . . . 0.54 113.178 178.45 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -103.57 124.61 49.11 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 102.717 -3.068 . . . . 1.46 102.717 174.081 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 52' ' ' TYR 0.384 0.1 OUTLIER -141.46 117.23 10.4 Favored 'General case' 0 C--N 1.276 -2.608 0 N-CA-C 114.61 1.337 . . . . 3.76 114.61 -173.476 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.789 HG22 ' CD1' ' A' ' 34' ' ' PHE . 3.4 p -84.33 151.18 24.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 115.22 -2.592 . . . . 2.32 105.696 172.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.797 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 10.6 t60 -32.82 39.31 0.0 OUTLIER 'General case' 0 CA--C 1.608 3.195 0 N-CA-C 118.88 2.918 . . . . 4.6 118.88 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.679 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.9 OUTLIER 156.64 8.89 0.0 OUTLIER 'General case' 1 N--CA 1.551 4.617 1 O-C-N 116.172 -4.08 . . . . 5.45 117.378 174.37 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.599 ' O ' ' HG3' ' A' ' 51' ' ' LYS . . . 161.6 13.0 0.03 OUTLIER Glycine 0 N--CA 1.498 2.828 0 C-N-CA 115.478 -3.248 . . . . 2.67 112.146 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 50' ' ' GLY 0.308 9.0 mttp -142.92 131.87 22.92 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 115.16 -2.616 . . . . 3.59 111.526 -170.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 46' ' ' LYS . 7.3 m-85 -124.71 132.27 53.4 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 114.913 -1.04 . . . . 1.54 109.931 -175.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.961 ' HB3' ' CE1' ' A' ' 74' ' ' PHE . 2.6 tp -39.17 136.43 0.85 Allowed 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 119.059 0.845 . . . . 0.46 110.555 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 64' ' ' SER . 20.4 m -143.89 150.99 39.26 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.042 -1.063 . . . . 0.41 108.846 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.982 HG23 HG23 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -127.72 140.0 50.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 C-N-CA 119.497 -0.881 . . . . 0.9 108.728 179.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.46 -135.72 8.58 Favored Glycine 0 CA--C 1.553 2.458 0 N-CA-C 103.271 -3.932 . . . . 1.5 103.271 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -124.4 -158.9 0.84 Allowed 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 122.294 3.047 . . . . 2.87 103.961 175.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' C ' ' CG ' ' A' ' 59' ' ' LYS 0.251 0.9 OUTLIER 43.87 43.69 5.35 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.754 -1.178 . . . . 4.28 112.926 173.307 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER 49.91 43.31 25.15 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.727 -1.233 . . . . 3.83 111.171 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -115.1 133.03 56.39 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 105.372 -2.084 . . . . 2.18 105.372 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.982 HG23 HG23 ' A' ' 55' ' ' ILE 0.269 0.3 OUTLIER -136.18 134.07 50.16 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.845 0 C-N-CA 117.907 -1.517 . . . . 1.53 112.773 -173.306 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -148.25 -151.01 0.37 Allowed 'General case' 0 N--CA 1.504 2.273 0 CA-C-N 114.437 -1.256 . . . . 1.56 112.024 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.72 129.33 16.05 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.846 -0.534 . . . . 1.63 109.878 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 9.1 t -107.82 -167.14 1.21 Allowed 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 122.163 0.982 . . . . 0.88 112.248 -178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -89.4 -165.35 1.32 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.463 1.125 . . . . 2.67 111.766 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 28.7 p-80 -68.1 151.34 47.17 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.627 -1.249 . . . . 2.35 107.627 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.924 HD21 ' CB ' ' A' ' 72' ' ' SER . 0.0 OUTLIER 174.49 170.28 0.24 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.437 0.637 . . . . 2.07 110.667 -177.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.578 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 1.6 m170 -121.51 144.58 48.63 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 108.979 -0.749 . . . . 4.41 108.979 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' O ' HD13 ' A' ' 73' ' ' LEU . . . 135.36 -149.91 20.09 Favored Glycine 0 C--N 1.296 -1.663 0 N-CA-C 109.061 -1.615 . . . . 1.7 109.061 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 2.4 t70 -126.28 -179.4 4.72 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 113.068 -1.566 . . . . 1.91 107.143 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.625 ' HB2' ' O ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER 84.5 -51.69 0.11 Allowed 'General case' 1 N--CA 1.557 4.879 0 CA-C-N 122.612 2.46 . . . . 2.55 105.653 178.212 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.924 ' CB ' HD21 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -100.13 -61.06 1.42 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 104.766 -2.309 . . . . 1.39 104.766 -175.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -85.76 157.6 20.22 Favored 'General case' 0 C--N 1.3 -1.551 1 N-CA-C 99.427 -4.286 . . . . 1.07 99.427 172.328 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.961 ' CE1' ' HB3' ' A' ' 53' ' ' LEU . 69.4 m-85 -132.26 177.04 7.88 Favored 'General case' 1 C--N 1.219 -5.073 0 N-CA-C 115.504 1.668 . . . . 1.21 115.504 -170.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -128.47 110.56 12.42 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 104.196 -2.52 . . . . 1.2 104.196 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.929 ' HG ' HG12 ' A' ' 85' ' ' ILE 0.439 0.0 OUTLIER -129.68 146.53 51.45 Favored 'General case' 0 C--N 1.245 -3.974 0 N-CA-C 105.88 -1.896 . . . . 0.87 105.88 -173.573 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -147.69 154.01 40.03 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.436 -0.79 . . . . 3.05 110.879 -170.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -76.24 175.9 8.59 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 121.658 0.742 . . . . 1.05 110.956 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' GLY . 2.5 t-80 -158.19 78.52 0.82 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.53 -0.868 . . . . 1.12 111.524 -177.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.84 -77.56 0.4 Allowed Glycine 0 N--CA 1.496 2.683 0 N-CA-C 107.514 -2.234 . . . . 1.08 107.514 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' HIS . . . -129.26 -10.43 3.04 Favored Glycine 0 C--O 1.198 -2.113 0 N-CA-C 108.238 -1.945 . . . . 0.56 108.238 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.94 -156.7 0.59 Allowed 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 120.343 -1.68 . . . . 1.97 112.188 -175.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 113' ' ' PHE . 0.9 OUTLIER -144.68 161.64 14.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 CA-C-N 114.166 -1.379 . . . . 1.09 109.262 -174.184 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 5.1 m -148.66 132.37 16.91 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.798 -1.092 . . . . 0.81 109.575 172.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.929 HG12 ' HG ' ' A' ' 76' ' ' LEU . 55.6 mt -113.19 133.54 58.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.848 0 CA-C-N 115.268 -0.878 . . . . 0.37 109.194 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.557 ' HD3' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -138.86 142.31 38.62 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 119.091 -1.044 . . . . 1.59 112.201 -177.266 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.557 ' O ' ' HD3' ' A' ' 86' ' ' LYS . . . -131.46 -141.95 4.9 Favored Glycine 0 CA--C 1.555 2.589 0 C-N-CA 119.629 -1.272 . . . . 0.98 110.482 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 89' ' ' HIS . 25.0 t-80 -56.32 171.35 0.29 Allowed 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.208 -1.76 . . . . 3.02 114.012 -176.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.977 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . 0.1 OUTLIER 52.46 19.87 1.29 Allowed 'General case' 0 N--CA 1.516 2.837 0 CA-C-N 113.595 -1.639 . . . . 2.83 113.754 175.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.13 20.83 10.22 Favored 'General case' 0 C--N 1.273 -2.737 0 C-N-CA 119.902 -0.719 . . . . 2.8 110.202 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.977 ' CE1' ' HB2' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -95.82 155.38 16.78 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 119.968 -1.707 . . . . 3.47 110.163 177.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 25.5 m-85 -108.27 174.51 5.85 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 104.587 -2.375 . . . . 1.18 104.587 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.655 ' HA ' HG22 ' A' ' 103' ' ' THR . 1.3 mm -89.6 154.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 106.487 -1.671 . . . . 1.78 106.487 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.58 ' N ' HG22 ' A' ' 93' ' ' ILE . 1.6 t -132.29 154.18 49.94 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-O 123.153 1.454 . . . . 0.44 111.419 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB3' ' OG ' ' A' ' 8' ' ' SER . . . -146.8 108.24 4.28 Favored 'General case' 0 C--N 1.274 -2.716 0 N-CA-C 103.673 -2.714 . . . . 0.7 103.673 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 97' ' ' HIS . 2.6 t70 -126.67 123.16 36.9 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 117.772 -1.571 . . . . 2.55 109.029 -177.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' A' ' 10' ' ' HIS 0.313 0.3 OUTLIER -24.33 -55.5 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 123.382 1.563 . . . . 4.67 110.909 176.969 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -73.98 -37.09 64.58 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 112.451 -2.159 . . . . 4.75 115.739 -174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.633 ' O ' ' CD2' ' A' ' 100' ' ' HIS . . . -121.84 27.23 6.27 Favored Glycine 0 N--CA 1.483 1.773 0 C-N-CA 118.223 -1.941 . . . . 3.25 111.547 -176.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 99' ' ' GLY . 6.6 p-80 51.35 -140.13 0.9 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 117.601 0.701 . . . . 3.49 109.823 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.7 t -99.99 136.08 32.87 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 122.393 1.092 . . . . 1.24 112.196 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.8 m -160.3 -153.79 0.35 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 104.901 -2.259 . . . . 1.24 104.901 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 93' ' ' ILE . 69.1 p -141.2 154.44 45.81 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.627 -1.296 . . . . 1.07 109.383 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HB2' HG21 ' A' ' 111' ' ' THR . 17.0 mtpt -134.6 149.66 50.61 Favored 'General case' 0 C--N 1.276 -2.625 0 C-N-CA 118.546 -1.261 . . . . 1.82 112.858 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -74.27 -34.87 63.7 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.27 -1.332 . . . . 2.02 107.829 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -68.14 169.98 9.33 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-O 121.977 0.894 . . . . 3.7 110.261 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -156.76 108.09 2.41 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 122.178 0.99 . . . . 3.04 109.96 179.49 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 109' ' ' HIS . 8.3 p-10 -151.81 -83.04 0.09 Allowed 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 108.037 -1.097 . . . . 2.37 108.037 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.481 ' H ' ' CG ' ' A' ' 108' ' ' ASP 0.261 18.7 m80 -125.78 -51.27 1.59 Allowed 'General case' 0 N--CA 1.517 2.909 0 N-CA-C 106.94 -1.504 . . . . 2.86 106.94 175.176 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.9 -27.44 0.35 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.581 -0.736 . . . . 2.11 110.615 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.466 HG21 ' HB2' ' A' ' 104' ' ' LYS . 6.7 p -119.75 32.16 6.2 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.65 -0.871 . . . . 1.37 108.65 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.602 ' C ' ' HD1' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -142.0 123.98 15.34 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 107.468 -1.308 . . . . 0.49 107.468 -178.286 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.67 ' HE2' HD11 ' A' ' 14' ' ' LEU 0.293 1.0 OUTLIER -119.18 177.99 4.68 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 113.299 0.851 . . . . 1.24 113.299 -171.903 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 7' ' ' LYS 0.407 6.0 mm-40 -95.76 172.97 7.7 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 104.697 -2.334 . . . . 2.64 104.697 172.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -111.92 122.38 47.6 Favored 'General case' 0 C--N 1.256 -3.457 0 CA-C-N 112.691 -2.049 . . . . 2.29 109.044 173.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.709 HD12 ' CE2' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -114.05 135.81 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 119.843 -1.786 . . . . 1.68 107.071 178.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.65 HG22 HD13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -115.12 -152.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 113.672 -1.604 . . . . 1.07 111.43 -176.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.799 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.241 0 CA-C-N 114.516 -1.22 . . . . 1.83 109.253 179.695 . . . . . . . . 2 2 . 1 stop_ save_