data_2mit_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 2mit _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 109.008 -0.738 . . . . 61.350000000000001 109.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.416 ' HB ' ' CG ' ' A' ' 32' ' ' ARG . 41.1 m -118.52 111.98 19.31 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 108.607 -0.886 . . . . 74.129999999999995 108.607 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 m -120.11 163.66 17.35 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.616 -1.253 . . . . 74.120000000000005 107.616 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.96 146.76 22.07 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.726 0.298 . . . . 73.040000000000006 110.95 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.652 ' SG ' HD21 ' B' ' 129' ' ' LEU . 22.1 m -91.37 106.97 18.88 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.397 -0.819 . . . . 71.439999999999998 109.644 -174.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.554 ' NH1' ' HA ' ' A' ' 9' ' ' ARG 0.285 3.0 ppt_? -112.81 143.47 44.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 114.004 1.112 . . . . 75.040000000000006 114.004 -179.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 35.7 p -84.73 -7.28 59.27 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.222 -0.899 . . . . 63.5 112.725 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.34 -86.67 0.07 OUTLIER Glycine 0 CA--C 1.474 -2.53 0 C-N-CA 120.165 -1.016 . . . . 51.43 111.055 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.554 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 29.2 ptt180 -136.46 174.63 10.41 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 122.634 0.374 . . . . 73.420000000000002 110.093 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 8.3 p -142.87 165.19 28.05 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.718 -0.475 . . . . 73.019999999999996 109.718 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.43 82.82 1.45 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.407 0.623 . . . . 63.240000000000002 110.909 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 164.76 -20.55 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 126.099 1.76 . . . . 72.430000000000007 107.218 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 60.32 -96.41 0.06 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.952 1.464 . . . . 75.409999999999997 114.952 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.259 42.1 mt-10 -84.18 77.28 9.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.917 1.342 . . . . 74.400000000000006 113.325 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -139.68 25.32 2.38 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.003 -2.221 . . . . 74.340000000000003 105.003 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.506 HD23 HG12 ' A' ' 19' ' ' VAL . 3.9 tt -78.07 113.36 15.93 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 106.607 -1.627 . . . . 73.409999999999997 106.607 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -113.4 -4.39 13.63 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.193 -1.367 . . . . 70.340000000000003 112.184 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.55 162.3 31.59 Favored Glycine 0 N--CA 1.428 -1.862 0 N-CA-C 111.121 -0.792 . . . . 75.430000000000007 111.121 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 16' ' ' LEU . 15.9 m -140.37 150.97 21.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.349 0.595 . . . . 73.319999999999993 112.051 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.9 p -152.44 120.9 6.37 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.912 -1.04 . . . . 64.430000000000007 109.206 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.61 120.46 38.04 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.132 -1.027 . . . . 73.140000000000001 108.373 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -136.75 132.17 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.996 0 CA-C-N 114.153 -1.385 . . . . 72.120000000000005 107.61 -173.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 p 53.04 31.99 12.13 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 125.15 1.38 . . . . 75.430000000000007 113.511 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.21 -1.63 80.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.629 -0.796 . . . . 41.299999999999997 112.043 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -111.16 139.85 46.2 Favored 'General case' 0 CA--C 1.457 -2.632 0 CA-C-O 121.304 0.573 . . . . 72.420000000000002 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.57 112.69 24.45 Favored 'General case' 0 C--N 1.263 -3.172 0 N-CA-C 106.909 -1.515 . . . . 61.350000000000001 106.909 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' B' ' 122' ' ' ILE . 69.1 m-85 -93.87 102.1 14.21 Favored 'General case' 0 C--N 1.273 -2.758 0 CA-C-O 122.011 0.91 . . . . 73.219999999999999 110.796 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.0 mtt85 -91.06 138.18 31.8 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.081 -1.418 . . . . 73.319999999999993 108.201 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.557 HD21 ' SG ' ' B' ' 105' ' ' CYS . 52.4 mt -104.9 127.61 52.79 Favored 'General case' 0 C--N 1.262 -3.221 0 CA-C-N 115.617 -0.72 . . . . 71.120000000000005 109.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB3' HH21 ' A' ' 6' ' ' ARG . 6.9 p -129.73 142.65 50.67 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.582 -1.266 . . . . 71.239999999999995 107.582 171.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -137.69 164.06 29.76 Favored 'General case' 0 N--CA 1.418 -2.042 0 C-N-CA 118.794 -1.162 . . . . 72.439999999999998 111.002 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' CG ' ' HB ' ' A' ' 2' ' ' THR . 27.3 ptt180 . . . . . 0 C--O 1.257 1.469 0 N-CA-C 108.944 -0.762 . . . . 72.519999999999996 108.944 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.09 -0.337 . . . . 62.240000000000002 110.09 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.43 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 62.1 m -128.38 113.01 15.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.775 -0.824 . . . . 61.5 108.775 174.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 23.7 m -124.62 166.83 15.42 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 106.15 -1.796 . . . . 74.030000000000001 106.15 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -160.1 156.31 26.61 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 117.953 0.342 . . . . 75.420000000000002 111.105 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.557 ' SG ' HD21 ' A' ' 29' ' ' LEU . 24.4 m -90.44 116.0 28.03 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.589 -0.732 . . . . 60.229999999999997 109.618 -175.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.516 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.5 ptt180 -109.79 143.54 39.49 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 116.188 -0.46 . . . . 73.040000000000006 110.656 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 35.8 p -87.29 -3.84 59.05 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.423 0.63 . . . . 75.450000000000003 111.31 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . 0.516 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -166.79 -103.9 0.17 Allowed Glycine 0 N--CA 1.419 -2.487 0 N-CA-C 108.748 -1.741 . . . . 62.030000000000001 108.748 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.433 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.3 ptt180 -106.29 166.87 10.22 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.345 -0.542 . . . . 75.150000000000006 110.998 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.257 1.458 0 N-CA-C 107.598 -1.26 . . . . 74.450000000000003 107.598 177.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.429 -1.511 0 N-CA-C 107.411 -1.329 . . . . 63.030000000000001 107.411 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.498 HD22 HG12 ' B' ' 119' ' ' VAL . 4.8 tt -99.76 109.29 21.74 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.53 -1.656 . . . . 75.230000000000004 106.53 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.0 p -107.22 -9.53 16.08 Favored 'General case' 0 C--N 1.269 -2.91 0 CA-C-N 114.163 -1.381 . . . . 64.549999999999997 112.39 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.34 163.93 34.13 Favored Glycine 0 N--CA 1.42 -2.393 0 C-N-CA 120.404 -0.903 . . . . 36.710000000000001 111.059 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.498 HG12 HD22 ' B' ' 116' ' ' LEU . 4.6 m -143.09 143.1 25.34 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 123.367 0.667 . . . . 75.030000000000001 111.259 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.2 p -144.37 122.02 11.83 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 115.031 -0.986 . . . . 74.230000000000004 110.0 175.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -97.17 114.99 26.75 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.272 -1.381 . . . . 72.409999999999997 107.272 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.471 HD11 ' CE2' ' A' ' 27' ' ' TYR . 22.0 mt -135.62 140.47 44.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 107.387 -1.338 . . . . 74.150000000000006 107.387 -174.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.9 p 53.76 31.82 13.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.719 1.208 . . . . 70.109999999999999 111.744 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.06 8.29 78.33 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.477 -0.783 . . . . 61.140000000000001 113.462 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -116.21 146.22 42.5 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 107.735 -1.209 . . . . 74.5 107.735 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.56 123.22 37.86 Favored 'General case' 0 N--CA 1.432 -1.339 0 C-N-CA 118.895 -1.122 . . . . 72.099999999999994 109.48 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 97.6 m-85 -103.97 112.94 26.14 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 115.493 -0.776 . . . . 75.349999999999994 109.559 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.7 mtt85 -93.27 153.27 18.68 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 108.953 -0.758 . . . . 74.25 108.953 176.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.652 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.5 mt -112.24 125.35 54.06 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 108.354 -0.98 . . . . 74.230000000000004 108.354 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.2 134.55 54.71 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.009 -1.108 . . . . 71.439999999999998 108.009 172.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.2 t -133.51 159.56 40.04 Favored 'General case' 0 N--CA 1.406 -2.632 0 C-N-CA 119.979 -0.689 . . . . 64.230000000000004 109.271 -173.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.43 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 25.8 ptt180 . . . . . 0 N--CA 1.424 -1.764 0 O-C-N 123.527 0.517 . . . . 71.109999999999999 110.726 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 109.47 -0.567 . . . . 72.040000000000006 109.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m -122.74 112.14 17.57 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.298 -1.001 . . . . 75.340000000000003 108.298 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.1 m -122.36 165.26 16.56 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.924 -1.51 . . . . 75.219999999999999 106.924 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -158.4 151.4 22.62 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 120.547 0.213 . . . . 72.510000000000005 110.904 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.598 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.9 m -89.21 105.1 17.57 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 123.939 0.775 . . . . 64.540000000000006 109.703 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.1 ptt180 -99.81 154.2 18.52 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.497 . . . . 74.140000000000001 110.569 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.0 p -97.57 -7.19 31.81 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.368 0.604 . . . . 73.239999999999995 111.038 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.515 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -155.23 -109.56 0.33 Allowed Glycine 0 N--CA 1.423 -2.223 0 N-CA-C 109.708 -1.357 . . . . 75.150000000000006 109.708 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.498 ' HA ' HH11 ' A' ' 6' ' ' ARG . 14.9 ptp180 -107.42 170.87 7.71 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 117.027 0.413 . . . . 62.32 110.779 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 26.1 p -146.77 166.33 26.96 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 122.216 -0.302 . . . . 74.310000000000002 110.216 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.17 90.11 1.55 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.568 0.699 . . . . 62.210000000000001 111.574 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t 167.73 -39.03 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 126.563 1.945 . . . . 74.450000000000003 106.255 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 59.84 136.04 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 N-CA-C 116.674 2.102 . . . . 64.230000000000004 116.674 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 69.78 -15.04 0.33 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 115.434 1.642 . . . . 74.450000000000003 115.434 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.4 t -77.25 76.36 3.8 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 121.93 0.872 . . . . 72.120000000000005 109.175 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD23 HG12 ' A' ' 19' ' ' VAL . 4.4 tt -101.2 116.96 34.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 105.619 -1.993 . . . . 74.230000000000004 105.619 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 p -108.53 -15.8 14.35 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-N 115.474 -0.784 . . . . 64.239999999999995 112.757 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.23 164.39 34.87 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 110.471 -1.052 . . . . 72.510000000000005 110.471 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG12 HD23 ' A' ' 16' ' ' LEU . 12.5 m -139.98 152.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-O 121.603 0.716 . . . . 75.030000000000001 111.938 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.0 p -148.06 120.03 8.21 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 114.574 -1.194 . . . . 75.510000000000005 109.302 174.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB2' HD22 ' A' ' 26' ' ' LEU . 2.1 tm-20 -97.41 120.64 38.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.126 -1.064 . . . . 75.510000000000005 108.126 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.484 HD12 ' CE2' ' B' ' 127' ' ' TYR . 24.4 mt -136.72 133.31 48.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-N 114.652 -1.158 . . . . 74.140000000000001 107.966 -172.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 53.53 31.07 11.69 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.45 1.5 . . . . 73.25 113.128 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.64 -0.77 88.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.025 -0.607 . . . . 72.010000000000005 112.369 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -111.75 141.31 45.53 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 108.466 -0.939 . . . . 73.25 108.466 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.94 121.79 35.77 Favored 'General case' 0 N--CA 1.427 -1.622 0 N-CA-C 108.53 -0.915 . . . . 71.200000000000003 108.53 -177.476 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 79.5 m-85 -101.6 110.16 22.1 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 115.538 -0.756 . . . . 75.340000000000003 110.128 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.8 mtt85 -92.77 151.19 20.16 Favored 'General case' 0 CA--C 1.474 -1.965 0 CA-C-N 115.143 -0.935 . . . . 73.430000000000007 109.183 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.589 HD23 ' SG ' ' B' ' 105' ' ' CYS . 58.7 mt -112.55 126.41 55.32 Favored 'General case' 0 N--CA 1.394 -3.241 0 N-CA-C 108.868 -0.789 . . . . 72.420000000000002 108.868 178.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 p -126.52 142.28 51.59 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 106.966 -1.494 . . . . 54.43 106.966 171.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 t -138.65 155.99 47.81 Favored 'General case' 0 N--CA 1.414 -2.26 0 C-N-CA 118.396 -1.322 . . . . 62.509999999999998 110.993 -172.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.464 0 CA-C-N 115.368 -0.833 . . . . 75.239999999999995 109.45 -178.714 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 110.507 -0.183 . . . . 72.310000000000002 110.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.448 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 55.7 m -115.91 112.6 22.12 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.5 -1.296 . . . . 64.25 107.5 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 m -123.38 167.44 13.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.783 -1.192 . . . . 62.350000000000001 107.783 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -162.67 150.61 13.98 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 120.749 0.309 . . . . 74.519999999999996 111.14 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.589 ' SG ' HD23 ' A' ' 29' ' ' LEU . 27.7 m -85.84 130.0 34.67 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.382 -0.826 . . . . 60.020000000000003 108.893 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.542 ' NH2' ' HB3' ' B' ' 130' ' ' CYS . 1.1 ppt_? -140.61 138.25 34.26 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-O 121.732 0.777 . . . . 71.140000000000001 112.78 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 46.5 p -80.29 -11.75 59.68 Favored 'General case' 0 C--N 1.278 -2.5 0 CA-C-N 114.884 -1.053 . . . . 64.340000000000003 112.989 -172.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -146.01 -113.32 0.81 Allowed Glycine 0 CA--C 1.464 -3.096 0 N-CA-C 108.92 -1.672 . . . . 71.519999999999996 108.92 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -102.61 178.68 4.51 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 108.66 -0.867 . . . . 64.129999999999995 108.66 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.516 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 26.9 p . . . . . 0 C--N 1.306 -1.31 0 N-CA-C 109.81 -0.441 . . . . 71.019999999999996 109.81 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 N--CA 1.429 -1.487 0 N-CA-C 113.758 1.022 . . . . 72.420000000000002 113.758 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.432 HD22 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -100.76 106.74 18.18 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 103.947 -2.612 . . . . 74.319999999999993 103.947 166.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.6 p -109.99 -5.71 15.37 Favored 'General case' 0 C--N 1.262 -3.222 0 CA-C-N 114.556 -1.202 . . . . 62.439999999999998 112.624 -169.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.22 163.78 33.32 Favored Glycine 0 N--CA 1.42 -2.389 0 N-CA-C 110.847 -0.901 . . . . 36.009999999999998 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.432 HG13 HD22 ' B' ' 116' ' ' LEU . 6.3 m -141.3 147.13 22.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 123.466 0.706 . . . . 75.319999999999993 110.131 175.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.8 p -149.47 117.81 6.46 Favored 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 115.227 -0.897 . . . . 70.129999999999995 109.046 174.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.485 ' HB2' HD21 ' B' ' 126' ' ' LEU . 0.4 OUTLIER -97.22 120.91 38.46 Favored 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 107.741 -1.207 . . . . 55.340000000000003 107.741 178.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.407 HD11 ' CE2' ' A' ' 27' ' ' TYR . 33.0 mt -133.49 128.17 54.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 114.485 -1.234 . . . . 74.040000000000006 108.931 -171.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.2 p 54.02 32.12 14.91 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.201 1.4 . . . . 54.310000000000002 113.301 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.23 6.18 71.7 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.803 -0.713 . . . . 50.109999999999999 112.742 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.412 ' HD3' HG22 ' B' ' 107' ' ' THR . 38.7 ttm180 -123.01 141.48 51.91 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 108.262 -1.014 . . . . 75.5 108.262 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.1 OUTLIER -93.58 125.41 38.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.366 -0.976 . . . . 72.010000000000005 108.366 -175.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.484 ' CE2' HD12 ' A' ' 22' ' ' ILE . 82.5 m-85 -107.84 102.38 11.59 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 121.522 0.677 . . . . 73.340000000000003 110.642 176.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.468 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 64.3 mtt85 -84.41 150.64 25.19 Favored 'General case' 0 CA--C 1.482 -1.663 0 N-CA-C 108.354 -0.98 . . . . 74.040000000000006 108.354 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.598 HD21 ' SG ' ' A' ' 5' ' ' CYS . 67.7 mt -110.77 131.46 55.03 Favored 'General case' 0 C--N 1.266 -3.026 0 N-CA-C 109.204 -0.665 . . . . 71.099999999999994 109.204 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.542 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 26.4 p -129.22 142.78 50.76 Favored 'General case' 0 CA--C 1.474 -1.954 0 N-CA-C 107.993 -1.114 . . . . 74.230000000000004 107.993 173.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.7 t -138.72 163.78 31.27 Favored 'General case' 0 N--CA 1.403 -2.786 0 C-N-CA 119.149 -1.02 . . . . 74.400000000000006 110.196 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.448 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 9.3 ptm180 . . . . . 0 C--N 1.294 -1.83 0 C-N-CA 124.076 0.95 . . . . 72.140000000000001 109.864 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.523 ' HB2' ' OG ' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 108.677 -0.86 . . . . 74.219999999999999 108.677 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.425 ' HB ' ' NE ' ' A' ' 32' ' ' ARG . 33.6 m -122.49 111.9 17.38 Favored 'General case' 0 N--CA 1.425 -1.694 0 C-N-CA 119.777 -0.769 . . . . 72.219999999999999 109.068 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.65 166.6 15.84 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 106.896 -1.52 . . . . 74.129999999999995 106.896 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -161.25 149.12 15.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 120.619 0.247 . . . . 73.120000000000005 110.391 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' B' ' 129' ' ' LEU . 34.8 m -88.86 111.51 22.15 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 115.673 -0.694 . . . . 73.239999999999995 110.424 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.548 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.9 ptt180 -102.99 148.71 25.34 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.926 -0.579 . . . . 75.040000000000006 110.337 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -90.78 -2.4 57.79 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.432 -0.804 . . . . 75.219999999999999 110.406 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.548 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -169.57 -103.73 0.17 Allowed Glycine 0 N--CA 1.418 -2.525 0 N-CA-C 108.817 -1.713 . . . . 61.530000000000001 108.817 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -101.0 168.9 9.31 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.605 -0.438 . . . . 74.510000000000005 110.288 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.17 163.75 29.65 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.795 -1.558 . . . . 75.040000000000006 106.795 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.46 73.16 1.9 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.462 0.648 . . . . 74.420000000000002 112.744 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t 173.16 -50.41 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 125.629 1.572 . . . . 62.020000000000003 108.566 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 56.17 -167.76 0.1 Allowed 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.638 0.775 . . . . 72.439999999999998 111.335 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 73.18 -51.57 0.71 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.673 1.189 . . . . 75.340000000000003 111.067 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.3 t -77.67 75.13 4.22 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-O 121.78 0.8 . . . . 53.0 109.819 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 HG12 ' A' ' 19' ' ' VAL . 4.9 tt -100.68 107.64 19.31 Favored 'General case' 0 N--CA 1.427 -1.601 0 N-CA-C 104.914 -2.254 . . . . 72.239999999999995 104.914 171.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 p -106.81 -9.94 16.22 Favored 'General case' 0 C--N 1.263 -3.176 0 CA-C-N 114.661 -1.154 . . . . 72.519999999999996 112.731 -169.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.86 164.12 34.08 Favored Glycine 0 N--CA 1.416 -2.643 0 N-CA-C 110.693 -0.963 . . . . 72.329999999999998 110.693 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG12 HD22 ' A' ' 16' ' ' LEU . 15.2 m -141.2 153.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 121.708 0.766 . . . . 75.299999999999997 111.213 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 3.7 p -149.58 117.7 6.37 Favored 'General case' 0 C--N 1.277 -2.543 0 CA-C-N 114.615 -1.175 . . . . 64.310000000000002 109.608 173.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.5 119.6 36.35 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.884 -1.154 . . . . 73.510000000000005 107.884 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.513 HD12 ' CE2' ' B' ' 127' ' ' TYR . 28.2 mt -129.33 125.2 61.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-N 114.272 -1.331 . . . . 64.230000000000004 108.41 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.9 p 54.38 31.59 14.82 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 125.736 1.614 . . . . 72.420000000000002 112.913 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 22.53 64.11 Favored Glycine 0 CA--C 1.508 -0.381 0 N-CA-C 111.888 -0.485 . . . . 73.439999999999998 111.888 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -129.78 132.27 46.48 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.264 -1.754 . . . . 64.430000000000007 106.264 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.87 128.16 40.0 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.336 -0.946 . . . . 72.540000000000006 109.346 -174.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 75.4 m-85 -110.47 115.31 29.41 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.226 -0.897 . . . . 75.109999999999999 109.978 174.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 69.8 mtt85 -96.93 152.74 18.41 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-N 115.454 -0.794 . . . . 74.420000000000002 109.126 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.627 HD22 ' SG ' ' B' ' 105' ' ' CYS . 56.3 mt -113.04 123.54 50.54 Favored 'General case' 0 C--N 1.266 -3.056 0 N-CA-C 108.617 -0.883 . . . . 74.310000000000002 108.617 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 p -122.17 131.28 53.87 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.617 -1.253 . . . . 54.530000000000001 107.617 171.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.3 t -135.61 149.63 49.42 Favored 'General case' 0 N--CA 1.422 -1.862 0 C-N-CA 120.075 -0.65 . . . . 52.119999999999997 109.315 -172.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.425 ' NE ' ' HB ' ' A' ' 2' ' ' THR . 41.7 ptt180 . . . . . 0 C--N 1.312 -1.058 0 C-N-CA 120.737 -0.385 . . . . 74.230000000000004 110.451 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.096 -0.335 . . . . 62.399999999999999 110.096 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.477 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 91.7 m -118.3 112.18 19.73 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.399 -0.963 . . . . 71.430000000000007 108.399 173.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 58.6 m -117.58 159.65 22.54 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.723 -1.214 . . . . 74.219999999999999 107.723 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -154.04 144.07 21.96 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.782 0.325 . . . . 73.420000000000002 110.785 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.627 ' SG ' HD22 ' A' ' 29' ' ' LEU . 23.2 m -87.03 114.69 23.85 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.2 -0.909 . . . . 64.319999999999993 109.201 -176.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' B' ' 109' ' ' ARG 0.317 4.0 ppt_? -120.56 134.16 55.31 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 113.907 1.077 . . . . 74.439999999999998 113.907 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 23.0 p -80.49 -3.01 48.37 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.332 -1.304 . . . . 74.239999999999995 112.823 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 -110.23 0.59 Allowed Glycine 0 CA--C 1.458 -3.504 0 N-CA-C 108.253 -1.939 . . . . 61.240000000000002 108.253 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.533 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.9 ptt180 -115.5 177.86 4.51 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.09 0.471 . . . . 74.209999999999994 110.216 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.454 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 9.5 p . . . . . 0 C--N 1.293 -1.85 0 N-CA-C 104.928 -2.249 . . . . 74.519999999999996 104.928 172.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 38.7 t . . . . . 0 N--CA 1.436 -1.161 0 CA-C-O 121.032 0.444 . . . . 75.409999999999997 110.217 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.422 HD22 HG12 ' B' ' 119' ' ' VAL . 3.3 tt -76.28 115.49 16.05 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.906 -1.887 . . . . 64.310000000000002 105.906 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' SER . . . . . 0.523 ' OG ' ' HB2' ' A' ' 1' ' ' ALA . 17.8 m -115.04 -8.97 12.42 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.558 -1.656 . . . . 75.239999999999995 111.4 -171.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.67 164.44 34.67 Favored Glycine 0 N--CA 1.427 -1.966 0 C-N-CA 120.541 -0.838 . . . . 62.5 111.373 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.422 HG12 HD22 ' B' ' 116' ' ' LEU . 6.7 m -141.11 149.73 20.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 123.467 0.707 . . . . 71.019999999999996 110.956 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 8.3 p -149.02 118.52 6.93 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 114.864 -1.062 . . . . 72.409999999999997 109.372 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.455 ' HB2' HD23 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.57 118.74 34.76 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 107.926 -1.139 . . . . 72.329999999999998 107.926 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.32 126.98 66.78 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 114.258 -1.337 . . . . 74.450000000000003 108.756 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 64.5 p 52.15 31.66 9.37 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 125.659 1.584 . . . . 73.299999999999997 113.292 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.87 18.06 64.2 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.655 -0.783 . . . . 42.299999999999997 112.288 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -129.27 135.31 48.61 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.486 -1.301 . . . . 74.209999999999994 107.486 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.79 122.73 36.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.09 -0.644 . . . . 74.329999999999998 109.93 -173.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.513 ' CE2' HD12 ' A' ' 22' ' ' ILE . 70.4 m-85 -106.07 110.65 22.97 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.515 -0.766 . . . . 73.430000000000007 110.552 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.458 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.2 mtt85 -95.79 139.05 32.57 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.752 -0.658 . . . . 72.209999999999994 109.349 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.679 HD23 ' SG ' ' A' ' 5' ' ' CYS . 50.3 mt -105.75 114.13 28.1 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-N 115.855 -0.611 . . . . 74.340000000000003 110.259 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' B' ' 115' ' ' SER . 4.9 p -112.38 141.12 46.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.355 -0.98 . . . . 72.549999999999997 108.355 171.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.7 t -145.06 142.33 29.63 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 119.02 -1.072 . . . . 62.310000000000002 111.796 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.477 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 17.2 ptm180 . . . . . 0 C--N 1.304 -1.399 0 CA-C-N 115.357 -0.838 . . . . 75.209999999999994 109.928 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.79 0 CA-C-O 120.834 0.35 . . . . 63.030000000000001 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 26.1 m -128.98 112.21 13.81 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.602 -1.629 . . . . 61.130000000000003 106.602 172.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.0 m -123.29 160.03 27.54 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.288 -1.745 . . . . 73.310000000000002 106.288 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 29.2 p90 -154.55 146.71 23.73 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 118.137 0.426 . . . . 72.099999999999994 111.979 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.724 ' SG ' HD23 ' B' ' 129' ' ' LEU . 37.3 m -87.93 101.66 13.96 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.205 -0.907 . . . . 73.510000000000005 110.108 -176.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.624 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.3 ppt_? -114.67 142.09 46.94 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 113.436 0.902 . . . . 75.439999999999998 113.436 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 ' HD3' ' A' ' 25' ' ' ARG . 21.6 p -89.85 0.3 57.12 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.163 -0.926 . . . . 63.299999999999997 113.473 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.2 -99.88 0.62 Allowed Glycine 0 CA--C 1.479 -2.212 0 N-CA-C 109.969 -1.253 . . . . 73.319999999999993 109.969 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.624 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 12.2 ptp180 -135.29 178.47 7.01 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.351 -0.981 . . . . 75.25 108.351 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 21.1 p -146.7 158.52 43.92 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 120.705 -0.398 . . . . 53.020000000000003 110.98 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.38 91.04 1.71 Allowed 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 123.591 0.557 . . . . 73.349999999999994 110.303 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 13.2 t 161.45 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 105.082 -2.192 . . . . 74.109999999999999 105.082 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 0.276 7.0 mmm180 59.34 -84.27 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.615 2.08 . . . . 70.219999999999999 116.615 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.02 78.89 9.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-O 122.223 1.011 . . . . 73.310000000000002 109.991 -173.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -153.95 20.51 0.51 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.951 -1.477 . . . . 74.439999999999998 108.038 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 HD21 HG11 ' A' ' 19' ' ' VAL . 4.3 tt -77.85 111.07 13.3 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 105.221 -2.14 . . . . 73.519999999999996 105.221 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 p -113.78 -7.23 13.26 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-N 114.094 -1.412 . . . . 71.109999999999999 112.057 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.59 163.57 33.43 Favored Glycine 0 N--CA 1.404 -3.464 0 N-CA-C 110.761 -0.936 . . . . 73.019999999999996 110.761 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG11 HD21 ' A' ' 16' ' ' LEU . 11.1 m -139.49 151.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.242 0.544 . . . . 74.299999999999997 110.853 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 8.2 p -146.67 118.68 8.21 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.742 -1.117 . . . . 73.420000000000002 108.84 174.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.94 123.38 40.64 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.438 -1.319 . . . . 73.120000000000005 107.438 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.37 125.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.205 0 CA-C-N 114.624 -1.171 . . . . 70.230000000000004 108.843 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.7 p 55.44 31.97 17.99 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 125.627 1.571 . . . . 61.109999999999999 113.045 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.45 19.28 64.53 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.852 -0.69 . . . . 53.009999999999998 112.232 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HD3' HG23 ' A' ' 7' ' ' THR . 39.7 ttm180 -129.46 134.03 47.6 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 107.592 -1.262 . . . . 71.120000000000005 107.592 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 120.42 34.13 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.956 -0.698 . . . . 73.420000000000002 109.262 -175.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' B' ' 122' ' ' ILE . 73.2 m-85 -101.68 118.18 36.41 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.507 -0.77 . . . . 75.549999999999997 110.243 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.7 mtt85 -101.17 140.09 35.95 Favored 'General case' 0 CA--C 1.485 -1.542 0 C-N-CA 123.36 0.664 . . . . 74.230000000000004 109.21 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.655 HD23 ' SG ' ' B' ' 105' ' ' CYS . 62.6 mt -105.62 124.22 49.2 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 115.758 -0.655 . . . . 74.299999999999997 110.208 -177.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HB3' HH21 ' A' ' 6' ' ' ARG . 14.5 p -133.01 143.6 49.53 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 108.271 -1.011 . . . . 70.109999999999999 108.271 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 t -141.65 162.04 36.45 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.208 -0.997 . . . . 74.420000000000002 110.888 -170.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 33.1 ptt180 . . . . . 0 C--O 1.257 1.49 0 N-CA-C 109.732 -0.47 . . . . 73.109999999999999 109.732 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.898 0 N-CA-C 109.021 -0.733 . . . . 74.219999999999999 109.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.8 m -142.63 112.32 6.83 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.825 -0.806 . . . . 73.230000000000004 108.825 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 18.3 m -125.6 154.72 41.84 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 106.081 -1.822 . . . . 75.409999999999997 106.081 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.426 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 40.3 p90 -150.18 143.47 25.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.147 0.795 . . . . 73.340000000000003 113.147 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.655 ' SG ' HD23 ' A' ' 29' ' ' LEU . 33.5 m -78.31 106.16 10.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.744 -1.116 . . . . 54.039999999999999 109.93 -177.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.46 ' HD2' ' HB2' ' B' ' 128' ' ' ARG . 3.6 ppt_? -118.65 130.99 56.16 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.921 0.867 . . . . 74.239999999999995 112.872 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' B' ' 125' ' ' ARG . 30.4 p -74.38 -16.33 60.9 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-N 114.557 -1.201 . . . . 74.400000000000006 112.902 -174.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.42 -91.26 0.14 Allowed Glycine 0 CA--C 1.456 -3.612 0 C-N-CA 119.537 -1.316 . . . . 60.5 110.449 -175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -119.82 177.65 4.89 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.39 -0.967 . . . . 74.129999999999995 108.39 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.453 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 22.4 p . . . . . 0 C--N 1.3 -1.573 0 CA-C-O 119.72 -0.181 . . . . 75.129999999999995 110.727 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 35.1 t . . . . . 0 N--CA 1.406 -2.672 0 N-CA-C 103.768 -2.679 . . . . 61.130000000000003 103.768 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.476 HD22 HG11 ' B' ' 119' ' ' VAL . 3.9 tt -77.5 116.67 18.26 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.054 -1.461 . . . . 72.239999999999995 107.054 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.2 p -118.17 -7.2 10.82 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.264 -1.334 . . . . 75.430000000000007 112.216 -172.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.88 164.02 33.91 Favored Glycine 0 N--CA 1.422 -2.247 0 N-CA-C 110.349 -1.1 . . . . 72.430000000000007 110.349 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.476 HG11 HD22 ' B' ' 116' ' ' LEU . 14.1 m -138.67 151.83 24.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.246 0.546 . . . . 73.230000000000004 110.57 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.7 p -143.93 112.84 6.69 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 115.273 -0.876 . . . . 74.099999999999994 109.509 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.416 ' HB2' HD23 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -98.26 121.43 40.17 Favored 'General case' 0 N--CA 1.413 -2.324 0 N-CA-C 108.097 -1.075 . . . . 75.219999999999999 108.097 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.543 HD11 ' CE2' ' A' ' 27' ' ' TYR . 18.6 mt -129.81 121.63 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 114.536 -1.211 . . . . 74.319999999999993 108.712 -172.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 57.1 p 51.33 32.19 8.08 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.264 1.426 . . . . 75.140000000000001 113.946 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 100.71 -10.78 59.19 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.385 -0.436 . . . . 74.439999999999998 113.305 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.475 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 62.9 ttt180 -104.73 135.76 45.52 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.771 -0.826 . . . . 75.319999999999993 108.771 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.444 HD13 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -94.49 123.35 37.86 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.05 -0.66 . . . . 74.420000000000002 109.417 -176.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 94.4 m-85 -105.96 112.32 25.32 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.683 -0.69 . . . . 71.439999999999998 109.525 175.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 76.7 mtt85 -91.48 142.82 27.24 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 109.374 -0.602 . . . . 74.519999999999996 109.374 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.724 HD23 ' SG ' ' A' ' 5' ' ' CYS . 71.3 mt -105.74 126.12 51.79 Favored 'General case' 0 C--N 1.272 -2.769 0 N-CA-C 109.347 -0.612 . . . . 71.030000000000001 109.347 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' B' ' 115' ' ' SER . 22.7 p -126.07 142.43 51.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.192 -1.41 . . . . 74.049999999999997 107.192 172.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 27.3 t -142.28 152.4 42.97 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.285 -0.966 . . . . 73.129999999999995 110.818 -172.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.431 ' HG3' ' OXT' ' B' ' 132' ' ' ARG . 26.5 ptt180 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 118.596 -0.716 . . . . 75.230000000000004 109.116 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.292 -0.633 . . . . 74.230000000000004 109.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m -120.85 111.46 17.58 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.413 -0.958 . . . . 70.239999999999995 108.413 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.2 m -123.39 164.0 19.71 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.473 -0.936 . . . . 53.530000000000001 108.473 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -157.79 144.4 17.82 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 122.508 0.323 . . . . 74.540000000000006 110.214 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.641 ' SG ' HD23 ' B' ' 129' ' ' LEU . 20.8 m -88.65 119.98 29.61 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.824 -0.626 . . . . 71.409999999999997 109.423 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.58 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.2 ppt_? -129.1 135.32 48.73 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 113.397 0.888 . . . . 74.319999999999993 113.397 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.577 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 42.4 p -82.22 -11.46 58.67 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.061 -0.972 . . . . 75.209999999999994 112.303 -173.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -131.61 -119.22 2.06 Favored Glycine 0 CA--C 1.456 -3.605 0 N-CA-C 108.78 -1.728 . . . . 54.530000000000001 108.78 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.58 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 18.3 ptp180 -107.89 177.97 4.66 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 109.292 -0.632 . . . . 71.129999999999995 109.292 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 14.2 p -138.29 160.54 39.22 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.491 -0.929 . . . . 72.200000000000003 108.491 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.13 79.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 74.439999999999998 112.087 -174.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 169.07 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.432 1.493 . . . . 64.129999999999995 107.821 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 66.51 -75.42 0.06 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.131 0.972 . . . . 75.430000000000007 112.764 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.78 87.1 3.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.69 0.757 . . . . 74.530000000000001 110.158 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 40.7 t -166.65 14.39 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.175 -1.375 . . . . 64.019999999999996 108.117 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.411 HD23 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.76 112.92 16.38 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 106.977 -1.49 . . . . 75.209999999999994 106.977 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 p -116.76 -4.45 11.63 Favored 'General case' 0 C--N 1.27 -2.86 0 CA-C-N 113.952 -1.477 . . . . 52.049999999999997 112.294 -171.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 163.95 34.16 Favored Glycine 0 N--CA 1.418 -2.565 0 C-N-CA 120.178 -1.01 . . . . 64.219999999999999 111.81 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 HG13 HD23 ' A' ' 16' ' ' LEU . 9.2 m -143.32 147.31 20.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 123.292 0.637 . . . . 75.200000000000003 111.008 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -146.96 119.5 8.49 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 114.875 -1.057 . . . . 74.150000000000006 109.269 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.45 122.61 40.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.847 -1.168 . . . . 63.299999999999997 107.847 178.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 HD13 ' CE2' ' B' ' 127' ' ' TYR . 31.8 mt -130.16 120.94 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 114.541 -1.208 . . . . 73.150000000000006 108.916 -172.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' 22' ' ' ILE . 38.4 p 52.93 33.1 13.82 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.814 1.246 . . . . 72.540000000000006 113.594 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 -11.47 68.46 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.213 -0.448 . . . . 65.209999999999994 112.514 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HE ' HG23 ' A' ' 7' ' ' THR . 75.1 ttt180 -103.33 132.25 49.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.072 -1.084 . . . . 73.209999999999994 108.072 -174.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -93.55 125.21 38.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.198 -0.667 . . . . 73.340000000000003 109.198 -174.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' B' ' 122' ' ' ILE . 67.6 m-85 -106.31 111.6 24.25 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 123.157 0.583 . . . . 63.119999999999997 110.9 176.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.488 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.4 mtt85 -93.76 143.66 26.12 Favored 'General case' 0 CA--C 1.48 -1.714 0 CA-C-N 115.44 -0.8 . . . . 73.030000000000001 108.876 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.4 mt -108.22 127.89 54.23 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 109.079 -0.711 . . . . 75.340000000000003 109.079 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' HH21 ' A' ' 6' ' ' ARG . 8.7 p -129.18 142.51 50.84 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 108.177 -1.045 . . . . 71.409999999999997 108.177 171.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 t -147.3 153.71 40.06 Favored 'General case' 0 N--CA 1.416 -2.162 0 C-N-CA 119.184 -1.006 . . . . 74.129999999999995 111.274 -168.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 . . . . . 0 C--O 1.255 1.392 0 CA-C-N 115.496 -0.775 . . . . 74.439999999999998 109.393 177.464 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 109.044 -0.725 . . . . 72.349999999999994 109.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.408 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 52.6 m -124.97 111.49 15.47 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.283 -1.006 . . . . 74.019999999999996 108.283 175.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.6 m -123.94 156.09 36.98 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.304 -1.369 . . . . 74.030000000000001 107.304 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -151.81 151.15 30.96 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 120.504 0.192 . . . . 72.530000000000001 110.579 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.651 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.4 m -94.64 109.67 21.57 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.881 0.738 . . . . 62.420000000000002 110.63 -174.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.534 ' HD3' ' C ' ' B' ' 109' ' ' ARG . 7.1 ptt180 -98.88 147.7 24.68 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.958 0.409 . . . . 71.439999999999998 111.525 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.3 p -96.07 5.25 51.56 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.638 -0.71 . . . . 70.530000000000001 111.589 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -172.74 -75.54 0.05 OUTLIER Glycine 0 N--CA 1.42 -2.375 0 N-CA-C 110.221 -1.152 . . . . 53.329999999999998 110.221 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.534 ' C ' ' HD3' ' B' ' 106' ' ' ARG . 16.6 ptp180 -132.07 162.73 30.09 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.657 0.265 . . . . 72.329999999999998 111.441 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 0.978 0 N-CA-C 109.213 -0.662 . . . . 74.340000000000003 109.213 -178.757 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 30.5 t . . . . . 0 N--CA 1.426 -1.672 0 N-CA-C 106.831 -1.544 . . . . 62.5 106.831 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.414 HD23 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -78.8 123.42 27.18 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.278 -1.749 . . . . 72.329999999999998 106.278 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 16.1 p -125.64 -1.72 7.37 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 114.988 -1.006 . . . . 75.519999999999996 112.866 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.73 163.58 33.35 Favored Glycine 0 N--CA 1.428 -1.836 0 N-CA-C 110.646 -0.981 . . . . 73.239999999999995 110.646 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.414 HG13 HD23 ' B' ' 116' ' ' LEU . 12.4 m -143.28 145.71 22.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 CA-C-O 121.166 0.508 . . . . 71.209999999999994 111.046 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.6 p -143.31 124.45 14.51 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 115.263 -0.88 . . . . 75.329999999999998 109.648 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.3 118.94 36.09 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 108.091 -1.077 . . . . 74.109999999999999 108.091 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.422 HD11 ' CE2' ' A' ' 27' ' ' TYR . 48.0 mt -127.91 123.29 60.5 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.198 0 CA-C-N 114.196 -1.365 . . . . 73.329999999999998 108.293 -172.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.9 p 53.04 31.7 11.6 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 125.11 1.364 . . . . 61.329999999999998 112.546 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.22 -1.13 87.58 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.051 -0.595 . . . . 71.340000000000003 112.236 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -106.82 136.94 45.78 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.89 -1.152 . . . . 72.450000000000003 107.89 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.76 123.2 38.07 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 119.832 -0.747 . . . . 74.420000000000002 110.956 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.446 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.5 m-85 -105.46 112.71 25.91 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 114.963 -1.017 . . . . 75.549999999999997 110.382 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.456 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.0 mtt85 -95.55 142.96 27.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.64 -0.874 . . . . 74.040000000000006 108.64 177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.641 HD23 ' SG ' ' A' ' 5' ' ' CYS . 61.3 mt -105.06 123.56 48.02 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 109.351 -0.611 . . . . 75.049999999999997 109.351 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.493 ' SG ' ' NE ' ' B' ' 106' ' ' ARG . 61.6 m -110.79 131.62 54.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.025 -1.842 . . . . 71.200000000000003 106.025 174.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 14.6 t -141.98 148.19 38.17 Favored 'General case' 0 N--CA 1.416 -2.156 0 C-N-CA 118.307 -1.357 . . . . 75.340000000000003 111.944 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.408 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 15.6 ptm180 . . . . . 0 N--CA 1.415 -2.186 0 CA-C-N 114.456 -1.247 . . . . 74.510000000000005 108.049 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 109.507 -0.553 . . . . 71.230000000000004 109.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -113.74 110.83 20.79 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.742 -1.577 . . . . 73.109999999999999 106.742 174.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' B' ' 117' ' ' SER . 11.2 m -128.0 167.15 17.1 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.975 -1.12 . . . . 71.129999999999995 107.975 -174.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -159.36 155.62 27.07 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 110.098 -0.334 . . . . 74.230000000000004 110.098 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' B' ' 129' ' ' LEU . 24.8 m -92.21 111.47 23.05 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.157 -0.683 . . . . 75.349999999999994 109.157 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.2 ptt180 -103.34 148.08 26.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.621 -0.263 . . . . 75.109999999999999 110.677 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 p -94.38 7.1 46.67 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.616 0.722 . . . . 75.040000000000006 111.117 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.508 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -168.0 -122.54 0.62 Allowed Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.6 -1.4 . . . . 62.219999999999999 109.6 -176.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.458 ' HA ' HH11 ' A' ' 6' ' ' ARG . 24.4 ptt180 -98.15 173.31 7.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 117.186 0.493 . . . . 75.099999999999994 110.568 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -146.42 169.4 18.95 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.935 -1.876 . . . . 75.120000000000005 105.935 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.05 7.3 1.7 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.737 0.78 . . . . 53.509999999999998 112.16 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -133.79 37.87 3.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 105.955 -1.868 . . . . 74.319999999999993 105.955 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HD2' ' O ' ' A' ' 13' ' ' ARG . 3.0 tmm_? -46.36 -44.01 16.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.804 2.042 . . . . 73.409999999999997 112.834 -173.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.51 -34.13 68.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.887 0.375 . . . . 55.310000000000002 111.207 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -80.01 79.12 6.59 Favored 'General case' 0 N--CA 1.419 -1.988 0 CA-C-O 121.899 0.857 . . . . 53.549999999999997 110.532 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.547 HD21 HG11 ' A' ' 19' ' ' VAL . 4.1 tt -99.54 112.83 24.98 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 104.606 -2.368 . . . . 71.310000000000002 104.606 172.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 p -101.55 -21.07 14.82 Favored 'General case' 0 C--N 1.272 -2.761 0 CA-C-N 115.205 -0.907 . . . . 70.239999999999995 112.176 -172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.84 163.99 37.43 Favored Glycine 0 N--CA 1.419 -2.451 0 N-CA-C 110.286 -1.126 . . . . 71.25 110.286 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.547 HG11 HD21 ' A' ' 16' ' ' LEU . 3.0 m -139.42 147.77 24.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-O 121.215 0.531 . . . . 74.239999999999995 112.011 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.0 p -147.99 111.58 5.01 Favored 'General case' 0 C--N 1.277 -2.553 0 CA-C-N 114.583 -1.19 . . . . 71.109999999999999 108.708 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB2' HD21 ' A' ' 26' ' ' LEU . 40.5 tt0 -96.75 110.96 23.32 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 107.588 -1.264 . . . . 65.329999999999998 107.588 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.484 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.0 mt -122.74 133.85 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-N 114.737 -1.12 . . . . 72.310000000000002 108.134 -172.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 p 54.86 33.22 19.39 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 124.874 1.27 . . . . 74.040000000000006 111.867 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.41 86.82 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.861 -0.609 . . . . 63.43 113.332 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -112.08 137.29 50.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.302 -1.369 . . . . 75.120000000000005 107.302 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.1 116.92 29.5 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 119.141 -1.023 . . . . 75.040000000000006 108.423 -174.206 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 91.5 m-85 -97.16 104.83 16.88 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 115.364 -0.835 . . . . 73.230000000000004 109.45 175.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -91.01 151.04 21.2 Favored 'General case' 0 CA--C 1.48 -1.721 0 CA-C-N 115.281 -0.872 . . . . 72.329999999999998 108.945 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD23 ' SG ' ' B' ' 105' ' ' CYS . 53.2 mt -111.57 121.92 46.43 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 108.903 -0.777 . . . . 72.129999999999995 108.903 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.24 142.17 51.46 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 107.17 -1.419 . . . . 74.299999999999997 107.17 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.5 t -134.77 148.18 50.17 Favored 'General case' 0 N--CA 1.408 -2.538 0 C-N-CA 117.936 -1.506 . . . . 74.400000000000006 112.535 -170.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 . . . . . 0 C--N 1.302 -1.498 0 C-N-CA 124.99 1.316 . . . . 73.349999999999994 109.149 178.847 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 109.32 -0.622 . . . . 73.099999999999994 109.32 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 99.3 m -113.72 113.62 25.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 109.562 -0.533 . . . . 75.329999999999998 109.562 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -137.55 168.73 19.08 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.181 -1.044 . . . . 71.109999999999999 108.181 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.424 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 31.2 p90 -164.5 153.17 12.85 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.79 0.436 . . . . 62.049999999999997 110.222 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.59 ' SG ' HD23 ' A' ' 29' ' ' LEU . 32.2 m -88.61 106.11 18.1 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 123.668 0.605 . . . . 60.119999999999997 109.92 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.3 ptt180 -97.42 147.45 24.2 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 116.072 -0.513 . . . . 73.420000000000002 111.353 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.0 p -91.82 2.21 56.66 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.577 0.704 . . . . 55.100000000000001 111.391 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . 0.494 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -170.98 -105.37 0.18 Allowed Glycine 0 N--CA 1.419 -2.449 0 N-CA-C 109.736 -1.346 . . . . 54.25 109.736 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -101.91 174.87 5.75 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.849 -0.426 . . . . 72.209999999999994 109.849 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.424 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 24.1 p . . . . . 0 CA--C 1.495 -1.142 0 N-CA-C 107.897 -1.149 . . . . 62.450000000000003 107.897 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.433 -1.282 0 CA-C-O 121.457 0.646 . . . . 73.420000000000002 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.464 HD22 HG11 ' B' ' 119' ' ' VAL . 4.6 tt -101.59 112.73 25.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.307 -2.108 . . . . 71.540000000000006 105.307 169.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' SER . . . . . 0.439 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 26.4 p -107.0 -14.35 14.96 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-N 115.613 -0.721 . . . . 74.200000000000003 112.861 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.36 164.41 34.83 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 110.886 -0.885 . . . . 75.25 110.886 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.464 HG11 HD22 ' B' ' 116' ' ' LEU . 4.8 m -139.53 150.93 22.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.356 0.598 . . . . 74.019999999999996 111.545 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.3 p -150.46 121.21 7.54 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 114.731 -1.122 . . . . 71.510000000000005 109.747 175.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.433 ' HB2' HD23 ' B' ' 126' ' ' LEU . 0.3 OUTLIER -97.86 122.71 41.29 Favored 'General case' 0 N--CA 1.417 -2.102 0 N-CA-C 107.426 -1.324 . . . . 75.319999999999993 107.426 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 41.5 mt -129.02 121.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-N 114.823 -1.081 . . . . 74.519999999999996 109.503 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 69.1 p 48.49 32.15 3.22 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 126.407 1.883 . . . . 72.430000000000007 114.826 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 106.02 -5.9 39.73 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.734 -0.746 . . . . 36.990000000000002 113.244 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -116.33 138.69 51.12 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 117.435 0.617 . . . . 73.310000000000002 110.043 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.82 118.87 32.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.714 -0.847 . . . . 71.099999999999994 108.714 -177.369 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.484 ' CE2' HD13 ' A' ' 22' ' ' ILE . 76.3 m-85 -100.36 121.5 41.6 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.419 -0.81 . . . . 75.329999999999998 110.775 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.6 mtt85 -100.19 152.7 19.97 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.002 -0.74 . . . . 75.420000000000002 109.002 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.2 mt -112.52 129.24 56.42 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 108.407 -0.96 . . . . 72.420000000000002 108.407 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.77 135.16 46.57 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 109.439 -0.578 . . . . 70.5 109.439 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 83.4 m -115.26 140.12 49.37 Favored 'General case' 0 N--CA 1.417 -2.098 0 CA-C-N 115.773 -0.649 . . . . 74.400000000000006 111.273 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 C--N 1.297 -1.705 0 C-N-CA 125.405 1.482 . . . . 73.450000000000003 110.225 -175.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 110.126 -0.324 . . . . 71.109999999999999 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.7 m -116.95 110.63 18.53 Favored 'General case' 0 N--CA 1.424 -1.735 0 N-CA-C 107.812 -1.181 . . . . 74.129999999999995 107.812 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 m -125.95 154.77 42.37 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 106.222 -1.77 . . . . 63.43 106.222 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -152.69 151.0 30.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 118.334 0.515 . . . . 72.409999999999997 110.98 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.58 ' SG ' HD23 ' B' ' 129' ' ' LEU . 16.6 m -87.36 106.31 17.86 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.066 -0.97 . . . . 75.049999999999997 109.176 -176.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.495 HH11 ' HA ' ' A' ' 9' ' ' ARG . 10.8 ptt180 -97.98 141.64 30.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.828 0.347 . . . . 74.120000000000005 111.068 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.0 p -88.86 6.28 39.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.929 -0.578 . . . . 71.129999999999995 111.675 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.76 -96.34 0.1 Allowed Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 110.192 -1.163 . . . . 36.32 110.192 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.495 ' HA ' HH11 ' A' ' 6' ' ' ARG . 34.0 ptt180 -124.57 170.69 10.67 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.11 0.481 . . . . 75.510000000000005 111.119 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.75 169.34 17.79 Favored 'General case' 0 N--CA 1.417 -2.121 0 N-CA-C 104.348 -2.464 . . . . 73.239999999999995 104.348 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.68 61.82 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 119.171 0.896 . . . . 74.439999999999998 110.563 -173.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' HG21 ' A' ' 12' ' ' THR . 8.0 t -113.82 89.31 3.05 Favored 'General case' 0 N--CA 1.406 -2.631 0 CA-C-O 122.23 1.014 . . . . 71.450000000000003 110.321 174.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 74.409999999999997 108.558 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -51.43 -36.92 45.99 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.613 1.565 . . . . 62.200000000000003 112.216 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.637 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 48.9 m -79.89 19.94 0.65 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.58 0.955 . . . . 75.420000000000002 113.58 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.424 ' HB2' ' NH2' ' A' ' 6' ' ' ARG . 4.2 tt -76.83 115.44 16.61 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 105.442 -2.058 . . . . 63.32 105.442 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.2 p -122.56 -2.53 8.9 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 114.566 -1.197 . . . . 63.020000000000003 112.521 -171.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.63 162.43 31.72 Favored Glycine 0 N--CA 1.42 -2.398 0 N-CA-C 110.549 -1.02 . . . . 63.210000000000001 110.549 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' HB ' HD12 ' A' ' 26' ' ' LEU . 9.5 m -141.44 149.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.326 0.584 . . . . 72.099999999999994 111.363 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -146.1 121.79 10.5 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 114.838 -1.073 . . . . 63.520000000000003 109.546 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.41 122.45 40.48 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 107.819 -1.178 . . . . 74.25 107.819 178.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.412 HD12 ' CE2' ' B' ' 127' ' ' TYR . 27.1 mt -136.95 128.84 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.861 0 CA-C-N 114.517 -1.22 . . . . 74.219999999999999 108.448 -173.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.8 p 54.07 32.36 15.5 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.288 1.435 . . . . 74.040000000000006 113.335 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.51 10.45 76.9 Favored Glycine 0 C--O 1.24 0.478 0 C-N-CA 120.784 -0.722 . . . . 62.130000000000003 112.391 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -123.04 137.98 54.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.794 -0.817 . . . . 63.450000000000003 108.794 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD12 ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -94.37 117.35 29.99 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.538 -0.912 . . . . 72.530000000000001 108.538 -178.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.487 ' CZ ' HD11 ' B' ' 122' ' ' ILE . 84.6 m-85 -97.15 118.69 34.14 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.434 -0.803 . . . . 75.340000000000003 109.681 177.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.42 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 61.2 mtt85 -100.27 145.5 28.03 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.768 -0.651 . . . . 74.230000000000004 109.292 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.698 HD23 ' SG ' ' B' ' 105' ' ' CYS . 55.8 mt -108.47 115.59 30.38 Favored 'General case' 0 C--N 1.268 -2.949 0 N-CA-C 108.838 -0.801 . . . . 73.019999999999996 108.838 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HA ' ' O ' ' A' ' 15' ' ' SER . 16.0 p -116.37 117.87 31.15 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 109.253 -0.647 . . . . 73.329999999999998 109.253 172.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.52 143.34 39.31 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 115.722 -0.672 . . . . 72.219999999999999 111.152 -172.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 . . . . . 0 C--O 1.256 1.425 0 CA-C-N 115.117 -0.947 . . . . 75.420000000000002 109.327 -177.848 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 120.75 0.31 . . . . 62.539999999999999 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' B' ' 132' ' ' ARG . 93.5 m -139.79 112.69 8.06 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.988 -0.745 . . . . 73.430000000000007 108.988 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 m -126.23 166.34 17.26 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 106.459 -1.682 . . . . 74.140000000000001 106.459 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -158.11 154.75 27.99 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 118.16 0.436 . . . . 74.239999999999995 110.95 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.698 ' SG ' HD23 ' A' ' 29' ' ' LEU . 29.7 m -91.29 102.11 14.82 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 123.859 0.724 . . . . 63.409999999999997 109.142 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.5 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.0 ptt180 -91.71 140.31 29.83 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.071 0.462 . . . . 63.509999999999998 111.045 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.4 p -89.06 22.44 2.76 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.699 -0.682 . . . . 74.120000000000005 111.07 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 175.84 -113.06 0.42 Allowed Glycine 0 N--CA 1.426 -2.028 0 N-CA-C 110.472 -1.051 . . . . 72.209999999999994 110.472 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.5 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.8 ptt180 -106.94 175.05 5.63 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.719 -0.474 . . . . 74.540000000000006 109.719 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.296 -1.741 0 N-CA-C 107.432 -1.321 . . . . 75.329999999999998 107.432 172.388 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.43 -1.447 0 N-CA-C 114.406 1.261 . . . . 61.109999999999999 114.406 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.52 HD22 HG12 ' B' ' 119' ' ' VAL . 4.2 tt -101.19 116.27 32.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.674 -1.973 . . . . 62.409999999999997 105.674 170.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 9.8 p -104.19 -16.81 15.11 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 113.409 0.892 . . . . 73.219999999999999 113.409 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.64 164.12 34.22 Favored Glycine 0 N--CA 1.42 -2.378 0 N-CA-C 110.579 -1.008 . . . . 72.120000000000005 110.579 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.52 HG12 HD22 ' B' ' 116' ' ' LEU . 5.5 m -139.13 151.53 23.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.258 0.551 . . . . 74.219999999999999 111.694 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.7 p -148.65 116.7 6.4 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.746 -1.116 . . . . 71.430000000000007 109.45 175.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.438 ' HB2' HD23 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.08 121.13 38.62 Favored 'General case' 0 CA--C 1.474 -1.944 0 N-CA-C 107.602 -1.259 . . . . 74.209999999999994 107.602 179.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.487 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 25.8 mt -135.32 129.11 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 CA-C-N 114.665 -1.152 . . . . 74.430000000000007 108.285 -172.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 55.1 p 53.42 32.0 13.13 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 124.933 1.293 . . . . 74.340000000000003 113.425 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.71 0.15 75.91 Favored Glycine 0 CA--C 1.507 -0.461 0 C-N-CA 121.168 -0.539 . . . . 52.210000000000001 112.86 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.416 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.6 ttm180 -116.05 139.49 50.23 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 108.912 -0.773 . . . . 73.030000000000001 108.912 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.0 115.33 27.65 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 108.684 -0.858 . . . . 71.349999999999994 108.684 -177.183 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 90.8 m-85 -95.71 111.9 23.75 Favored 'General case' 0 C--N 1.278 -2.542 0 CA-C-N 115.808 -0.633 . . . . 75.209999999999994 109.837 177.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -95.88 151.86 19.02 Favored 'General case' 0 CA--C 1.474 -1.964 0 CA-C-N 115.77 -0.65 . . . . 71.510000000000005 109.813 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.58 HD23 ' SG ' ' A' ' 5' ' ' CYS . 47.6 mt -113.23 122.67 48.17 Favored 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 108.477 -0.934 . . . . 73.400000000000006 108.477 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 129.09 45.32 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 106.677 -1.601 . . . . 52.530000000000001 106.677 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 9.2 t -112.45 164.04 13.74 Favored 'General case' 0 C--N 1.277 -2.545 0 C-N-CA 119.357 -0.937 . . . . 45.420000000000002 110.148 -171.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' B' ' 102' ' ' THR . 15.7 ptm180 . . . . . 0 C--N 1.307 -1.272 0 CA-C-O 118.535 -0.745 . . . . 73.349999999999994 109.664 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 108.845 -0.798 . . . . 70.219999999999999 108.845 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 111.85 14.41 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 119.993 -0.683 . . . . 65.140000000000001 109.439 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 m -122.72 166.97 14.07 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.773 -1.566 . . . . 73.420000000000002 106.773 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -155.42 144.67 20.94 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.538 0.209 . . . . 75.450000000000003 110.964 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' B' ' 129' ' ' LEU . 18.3 m -94.38 108.05 19.98 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.911 -0.774 . . . . 74.109999999999999 108.911 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -125.9 159.9 31.34 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.663 -0.815 . . . . 75.120000000000005 110.888 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.451 HG22 ' NE ' ' A' ' 25' ' ' ARG . 24.6 p -98.68 8.2 45.21 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 112.534 0.568 . . . . 64.319999999999993 112.534 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.76 -157.97 7.38 Favored Glycine 0 N--CA 1.419 -2.448 0 C-N-CA 120.202 -0.999 . . . . 64.340000000000003 111.43 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -97.46 164.25 12.52 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 109.684 -0.487 . . . . 75.239999999999995 109.684 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.22 148.1 47.56 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 120.61 -0.436 . . . . 73.439999999999998 110.15 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 81.37 1.03 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.066 0.936 . . . . 71.200000000000003 111.945 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 t 173.72 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.373 -1.74 . . . . 74.239999999999995 107.046 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 15' ' ' SER . 30.4 mmm180 58.0 -177.39 0.07 Allowed 'General case' 0 C--N 1.364 1.201 0 CA-C-N 115.282 -0.872 . . . . 74.299999999999997 110.857 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 69.82 -26.2 0.15 Allowed 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 124.095 0.958 . . . . 74.25 112.6 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 13' ' ' ARG . 35.3 t -79.91 6.22 11.79 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 124.501 1.121 . . . . 74.319999999999993 113.087 -174.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 HD21 HG13 ' A' ' 19' ' ' VAL . 3.5 tt -77.74 114.96 17.11 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.053 -1.832 . . . . 65.400000000000006 106.053 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 p -111.7 -19.83 12.33 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-N 114.108 -1.405 . . . . 51.549999999999997 111.823 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.13 164.37 37.41 Favored Glycine 0 N--CA 1.421 -2.308 0 N-CA-C 110.192 -1.163 . . . . 44.219999999999999 110.192 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.449 HG13 HD21 ' A' ' 16' ' ' LEU . 18.9 m -136.31 157.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.116 0.484 . . . . 73.319999999999993 110.884 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.4 p -147.46 122.71 10.24 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 114.993 -1.003 . . . . 61.539999999999999 109.432 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.86 121.62 39.99 Favored 'General case' 0 N--CA 1.415 -2.176 0 N-CA-C 108.03 -1.1 . . . . 73.239999999999995 108.03 177.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -134.36 128.89 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.057 0 CA-C-N 114.238 -1.346 . . . . 75.340000000000003 107.765 -175.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p 55.93 31.46 17.88 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.308 1.443 . . . . 74.340000000000003 112.727 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.09 11.03 84.86 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.163 -0.542 . . . . 55.450000000000003 112.134 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.451 ' NE ' HG22 ' A' ' 7' ' ' THR . 40.7 ttt180 -120.48 135.51 55.04 Favored 'General case' 0 N--CA 1.421 -1.898 0 N-CA-C 106.711 -1.588 . . . . 71.120000000000005 106.711 -177.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.12 123.13 37.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.88 -0.728 . . . . 72.019999999999996 109.6 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 87.3 m-85 -103.98 117.03 33.34 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 115.428 -0.805 . . . . 65.150000000000006 110.294 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -96.14 142.94 27.72 Favored 'General case' 0 CA--C 1.48 -1.744 0 N-CA-C 108.847 -0.797 . . . . 74.340000000000003 108.847 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.7 HD22 ' SG ' ' B' ' 105' ' ' CYS . 62.3 mt -108.69 108.08 18.8 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-N 115.736 -0.665 . . . . 74.439999999999998 109.462 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 15' ' ' SER 0.27 27.8 p -114.9 142.35 46.71 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.662 -0.866 . . . . 72.239999999999995 108.662 172.081 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -138.91 164.58 29.31 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.768 -0.773 . . . . 71.25 112.247 -164.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.962 -0.755 . . . . 73.109999999999999 108.962 177.896 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 120.706 0.289 . . . . 65.310000000000002 110.649 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' B' ' 132' ' ' ARG . 61.5 m -131.27 111.82 12.23 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.887 -1.153 . . . . 71.239999999999995 107.887 171.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.0 m -120.11 159.87 23.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.162 -1.422 . . . . 65.540000000000006 107.162 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.72 148.47 22.69 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.881 0.372 . . . . 73.400000000000006 110.853 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.7 ' SG ' HD22 ' A' ' 29' ' ' LEU . 37.4 m -85.76 127.5 34.55 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.156 -0.929 . . . . 72.450000000000003 110.234 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -136.77 142.85 43.0 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 121.09 0.471 . . . . 75.549999999999997 112.19 178.006 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 72.4 p -76.57 -8.61 57.56 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 113.873 1.064 . . . . 75.040000000000006 113.873 -171.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . 0.406 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -160.68 -65.73 0.02 OUTLIER Glycine 0 CA--C 1.469 -2.841 0 C-N-CA 119.369 -1.396 . . . . 72.450000000000003 111.58 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -135.24 178.16 7.25 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 120.314 -0.554 . . . . 73.0 109.789 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.488 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.5 p . . . . . 0 C--N 1.299 -1.595 0 N-CA-C 107.814 -1.18 . . . . 55.340000000000003 107.814 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 N--CA 1.425 -1.704 0 N-CA-C 112.34 0.496 . . . . 51.219999999999999 112.34 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.434 HD23 HG11 ' B' ' 119' ' ' VAL . 4.3 tt -84.39 111.4 19.41 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 103.63 -2.73 . . . . 72.230000000000004 103.63 167.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.7 p -103.73 -11.0 17.89 Favored 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 115.029 -0.987 . . . . 64.319999999999993 113.326 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.58 164.49 34.81 Favored Glycine 0 CA--C 1.476 -2.391 0 C-N-CA 119.719 -1.229 . . . . 64.200000000000003 111.059 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.434 HG11 HD23 ' B' ' 116' ' ' LEU . 15.4 m -141.12 143.46 28.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 121.476 0.655 . . . . 62.399999999999999 110.891 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 4.0 p -142.53 122.24 13.42 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 114.814 -1.084 . . . . 71.420000000000002 109.555 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.65 123.67 41.65 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.523 -1.288 . . . . 74.219999999999999 107.523 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.415 ' C ' ' HG ' ' B' ' 123' ' ' SER . 40.5 mt -135.95 128.97 47.11 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.158 0 N-CA-C 107.751 -1.203 . . . . 75.5 107.751 -173.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.415 ' HG ' ' C ' ' B' ' 122' ' ' ILE . 71.7 p 52.35 32.04 10.46 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.391 1.476 . . . . 60.229999999999997 113.383 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 16.82 73.18 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 120.79 -0.719 . . . . 71.040000000000006 112.019 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.458 ' CZ ' HG23 ' B' ' 107' ' ' THR . 63.3 ttt180 -128.29 139.65 52.31 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 107.133 -1.432 . . . . 75.040000000000006 107.133 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.1 OUTLIER -94.11 130.76 40.17 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 119.647 -0.821 . . . . 74.439999999999998 109.339 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.407 ' CE2' ' HB ' ' B' ' 122' ' ' ILE . 97.0 m-85 -114.65 108.83 17.33 Favored 'General case' 0 C--N 1.277 -2.547 0 CA-C-N 115.173 -0.921 . . . . 72.25 109.113 176.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 56.7 mtt85 -92.83 151.86 19.75 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.419 -0.81 . . . . 73.200000000000003 109.33 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.679 HD23 ' SG ' ' A' ' 5' ' ' CYS . 60.4 mt -112.92 136.73 52.25 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 108.769 -0.826 . . . . 74.109999999999999 108.769 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 6.3 p -133.12 140.07 47.43 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.303 -1.369 . . . . 75.450000000000003 107.303 171.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.8 t -142.59 151.83 41.92 Favored 'General case' 0 N--CA 1.421 -1.891 0 C-N-CA 118.366 -1.334 . . . . 73.510000000000005 111.575 -169.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.469 ' HG2' ' HB ' ' B' ' 102' ' ' THR . 39.0 ptt180 . . . . . 0 N--CA 1.432 -1.331 0 CA-C-N 115.469 -0.787 . . . . 74.150000000000006 108.964 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 110.235 -0.283 . . . . 73.209999999999994 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.0 m -122.9 112.27 17.65 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.965 -1.124 . . . . 73.230000000000004 107.965 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.1 m -122.32 165.59 16.02 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 107.593 -1.262 . . . . 61.539999999999999 107.593 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -160.76 152.36 19.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.074 -0.713 . . . . 75.200000000000003 109.074 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.646 ' SG ' HD23 ' B' ' 129' ' ' LEU . 34.3 m -89.14 109.09 20.0 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 123.789 0.681 . . . . 63.109999999999999 109.592 -176.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.2 ptt180 -94.53 138.61 32.22 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 121.56 0.695 . . . . 74.120000000000005 110.623 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 m -87.8 10.72 17.54 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.458 -1.246 . . . . 71.129999999999995 110.036 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.479 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . 178.78 -104.92 0.19 Allowed Glycine 0 N--CA 1.421 -2.329 0 N-CA-C 109.473 -1.451 . . . . 72.150000000000006 109.473 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -107.96 178.46 4.51 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.23 -0.656 . . . . 74.439999999999998 109.23 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 12' ' ' THR . 11.7 p -142.72 166.92 23.33 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.391 -0.966 . . . . 75.239999999999995 108.391 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.37 31.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.925 0.89 . . . . 70.530000000000001 112.059 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.477 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.5 t -169.65 36.64 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.69 -1.596 . . . . 61.030000000000001 106.69 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.95 85.14 1.26 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.155 -0.929 . . . . 71.299999999999997 110.341 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.02 18.07 0.37 Allowed 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.243 -1.762 . . . . 64.230000000000004 106.243 175.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -145.15 90.64 2.06 Favored 'General case' 0 N--CA 1.418 -2.071 0 CA-C-N 114.813 -1.085 . . . . 74.030000000000001 110.19 -176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.529 HD23 HG12 ' A' ' 19' ' ' VAL . 4.7 tt -102.19 110.75 22.79 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 105.218 -2.141 . . . . 74.450000000000003 105.218 170.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -105.72 -13.77 15.45 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.937 -0.574 . . . . 72.140000000000001 112.229 -174.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.89 164.15 34.1 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.615 -0.994 . . . . 63.219999999999999 110.615 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG12 HD23 ' A' ' 16' ' ' LEU . 12.3 m -136.52 156.6 35.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 CA-C-O 121.49 0.662 . . . . 73.340000000000003 111.228 175.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.39 123.02 8.57 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 114.586 -1.188 . . . . 72.519999999999996 110.232 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.16 123.44 40.92 Favored 'General case' 0 CA--C 1.478 -1.818 0 N-CA-C 107.815 -1.18 . . . . 72.409999999999997 107.815 178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.493 HD12 ' CE2' ' B' ' 127' ' ' TYR . 34.6 mt -134.04 124.94 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.15 0 CA-C-N 114.718 -1.128 . . . . 73.420000000000002 108.683 -173.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.0 p 52.56 31.74 10.49 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.236 1.414 . . . . 72.299999999999997 112.881 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.93 2.71 86.08 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 116.282 -0.417 . . . . 74.420000000000002 112.544 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -111.9 133.65 53.96 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.02 -1.474 . . . . 73.329999999999998 107.02 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.09 125.68 38.87 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.577 -0.849 . . . . 64.409999999999997 110.458 -174.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' CE2' HD11 ' B' ' 122' ' ' ILE . 71.4 m-85 -107.38 130.09 54.84 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.127 -0.942 . . . . 70.329999999999998 110.614 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 70.5 mtt85 -109.41 155.47 21.22 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 109.124 -0.695 . . . . 74.010000000000005 109.124 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.704 HD22 ' SG ' ' B' ' 105' ' ' CYS . 52.3 mt -113.53 119.15 36.53 Favored 'General case' 0 C--N 1.267 -3.019 0 N-CA-C 108.871 -0.788 . . . . 75.400000000000006 108.871 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.5 p -119.39 120.05 35.75 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 107.243 -1.391 . . . . 73.400000000000006 107.243 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 t -112.57 148.41 34.6 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.162 -1.015 . . . . 74.239999999999995 110.82 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--O 1.254 1.303 0 CA-C-N 116.086 -0.506 . . . . 75.140000000000001 109.846 -176.685 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.404 0 CA-C-O 120.736 0.303 . . . . 64.200000000000003 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 19.6 m -127.23 112.11 14.73 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.762 -0.829 . . . . 74.230000000000004 108.762 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 32.0 m -126.82 168.81 13.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.222 -1.399 . . . . 63.229999999999997 107.222 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -160.17 148.21 16.71 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 120.799 0.333 . . . . 74.200000000000003 111.867 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.704 ' SG ' HD22 ' A' ' 29' ' ' LEU . 19.8 m -89.6 112.48 23.71 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.427 -0.806 . . . . 71.340000000000003 109.91 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.471 ' O ' ' HD2' ' B' ' 106' ' ' ARG . 1.1 ppt_? -122.99 142.08 51.24 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 120.86 0.362 . . . . 62.219999999999999 111.646 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 48.5 p -89.45 2.67 54.21 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 121.338 0.589 . . . . 65.209999999999994 112.421 -173.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.38 -119.58 1.13 Allowed Glycine 0 N--CA 1.405 -3.414 0 N-CA-C 109.168 -1.573 . . . . 73.319999999999993 109.168 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -105.39 178.61 4.51 Favored 'General case' 0 C--N 1.277 -2.566 0 N-CA-C 109.147 -0.686 . . . . 75.25 109.147 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.298 -1.657 0 N-CA-C 108.519 -0.919 . . . . 71.219999999999999 108.519 175.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.399 -2.996 0 N-CA-C 102.65 -3.093 . . . . 73.430000000000007 102.65 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.515 HD22 HG11 ' B' ' 119' ' ' VAL . 4.4 tt -80.8 114.47 19.71 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 107.397 -1.334 . . . . 72.239999999999995 107.397 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.1 p -110.56 -13.97 14.15 Favored 'General case' 0 C--N 1.264 -3.114 0 CA-C-N 114.167 -1.379 . . . . 62.200000000000003 111.71 -173.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.43 163.77 35.95 Favored Glycine 0 N--CA 1.415 -2.74 0 N-CA-C 111.14 -0.784 . . . . 74.340000000000003 111.14 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.515 HG11 HD22 ' B' ' 116' ' ' LEU . 3.4 m -140.88 151.5 20.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 123.769 0.828 . . . . 74.209999999999994 110.856 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.34 116.02 5.91 Favored 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 114.876 -1.056 . . . . 51.409999999999997 108.511 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -97.19 107.75 20.34 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 106.87 -1.53 . . . . 72.099999999999994 106.87 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.413 HD11 ' CE2' ' A' ' 27' ' ' TYR . 47.2 mt -122.74 135.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 114.6 -1.182 . . . . 75.230000000000004 108.258 -172.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 66.1 p 55.83 32.56 19.84 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.283 1.033 . . . . 74.120000000000005 111.868 -178.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.08 19.07 76.96 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.538 -0.756 . . . . 73.439999999999998 112.594 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.464 ' NE ' HG22 ' B' ' 107' ' ' THR . 56.3 ttt180 -124.08 136.94 54.59 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 105.963 -1.866 . . . . 74.310000000000002 105.963 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.54 120.2 33.53 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.813 -1.155 . . . . 74.310000000000002 108.988 -174.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.493 ' CE2' HD12 ' A' ' 22' ' ' ILE . 88.1 m-85 -101.9 110.16 22.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.84 -0.618 . . . . 73.430000000000007 110.412 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -94.74 143.25 26.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 108.997 -0.742 . . . . 74.040000000000006 108.997 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.646 HD23 ' SG ' ' A' ' 5' ' ' CYS . 53.7 mt -105.97 124.49 49.66 Favored 'General case' 0 C--N 1.267 -3.015 0 CA-C-N 115.856 -0.611 . . . . 70.420000000000002 109.618 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.451 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 11.7 p -122.46 142.11 50.91 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 107.513 -1.291 . . . . 55.109999999999999 107.513 170.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.7 t -136.82 162.26 33.7 Favored 'General case' 0 N--CA 1.416 -2.158 0 C-N-CA 118.958 -1.097 . . . . 64.420000000000002 110.034 -172.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.432 -1.329 0 CA-C-N 116.256 -0.429 . . . . 74.340000000000003 110.542 -179.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.091 -0.707 . . . . 74.310000000000002 109.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.3 m -125.82 112.07 15.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.765 -1.198 . . . . 65.310000000000002 107.765 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.8 m -128.7 165.42 20.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 74.340000000000003 107.723 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -156.37 150.92 25.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.459 0.171 . . . . 74.239999999999995 111.402 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.68 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.4 m -95.91 121.14 37.33 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 123.695 0.622 . . . . 61.350000000000001 109.986 -175.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HD2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 ptp180 -142.73 155.9 44.94 Favored 'General case' 0 C--O 1.202 -1.41 0 N-CA-C 110.21 -0.293 . . . . 74.230000000000004 110.21 175.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.4 HG22 ' NE ' ' A' ' 25' ' ' ARG . 23.7 p -92.03 9.33 33.7 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 112.774 0.657 . . . . 74.140000000000001 112.774 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.24 -146.95 5.01 Favored Glycine 0 N--CA 1.427 -1.964 0 C-N-CA 120.233 -0.984 . . . . 64.310000000000002 112.629 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -98.07 173.36 7.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 123.363 0.665 . . . . 75.299999999999997 109.605 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 9.5 p -143.83 159.94 41.64 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 120.539 -0.464 . . . . 65.450000000000003 110.69 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 86.28 1.61 Allowed 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 121.746 0.784 . . . . 72.340000000000003 111.133 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t 173.15 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 125.875 1.67 . . . . 74.510000000000005 106.965 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 57.15 132.01 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 0 N-CA-C 115.883 1.809 . . . . 71.310000000000002 115.883 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 69.69 7.58 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.707 -1.133 . . . . 73.25 113.739 175.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -93.46 26.21 3.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 106.851 -1.537 . . . . 64.150000000000006 106.851 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -78.35 124.21 27.85 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 104.81 -2.293 . . . . 74.040000000000006 104.81 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -118.86 -8.49 10.29 Favored 'General case' 0 C--N 1.271 -2.832 0 CA-C-N 115.359 -0.837 . . . . 74.230000000000004 112.631 -172.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.3 34.67 Favored Glycine 0 N--CA 1.419 -2.465 0 N-CA-C 110.82 -0.912 . . . . 54.229999999999997 110.82 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.4 m -136.45 154.82 33.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-O 120.995 0.426 . . . . 75.420000000000002 110.666 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.2 p -148.41 115.93 6.26 Favored 'General case' 0 C--N 1.28 -2.448 0 CA-C-N 115.248 -0.887 . . . . 51.43 110.182 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.06 123.3 40.76 Favored 'General case' 0 N--CA 1.402 -2.873 0 N-CA-C 107.738 -1.208 . . . . 70.019999999999996 107.738 179.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.449 HD12 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -129.84 123.45 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 114.259 -1.337 . . . . 61.240000000000002 108.714 -171.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.9 p 50.86 31.99 6.74 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 125.222 1.409 . . . . 64.040000000000006 113.467 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.2 -0.56 64.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.117 -0.564 . . . . 74.400000000000006 113.191 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' NE ' HG22 ' A' ' 7' ' ' THR . 41.8 ttt180 -113.12 134.55 54.5 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.97 -1.122 . . . . 73.329999999999998 107.97 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.95 118.53 31.6 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.126 -0.694 . . . . 71.400000000000006 109.126 -174.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 78.4 m-85 -101.26 127.82 47.69 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 123.258 0.623 . . . . 72.420000000000002 110.619 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -102.02 143.93 31.25 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 123.455 0.702 . . . . 74.340000000000003 109.904 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.749 HD23 ' SG ' ' B' ' 105' ' ' CYS . 58.1 mt -107.83 108.03 19.03 Favored 'General case' 0 N--CA 1.396 -3.143 0 N-CA-C 107.495 -1.298 . . . . 75.129999999999995 107.495 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -116.03 127.88 55.26 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 107.101 -1.444 . . . . 70.409999999999997 107.101 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -116.12 158.09 23.76 Favored 'General case' 0 C--N 1.281 -2.375 0 C-N-CA 119.899 -0.72 . . . . 74.219999999999999 110.164 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.259 1.588 0 N-CA-C 109.777 -0.453 . . . . 70.349999999999994 109.777 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 109.74 -0.467 . . . . 71.219999999999999 109.74 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' B' ' 132' ' ' ARG . 95.5 m -137.91 112.76 9.01 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.981 -0.748 . . . . 72.420000000000002 108.981 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.7 m -120.53 163.59 17.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.668 -1.604 . . . . 52.140000000000001 106.668 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -153.58 146.3 24.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 120.788 0.328 . . . . 54.439999999999998 111.703 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.749 ' SG ' HD23 ' A' ' 29' ' ' LEU . 27.8 m -88.99 102.76 15.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.33 -0.85 . . . . 64.519999999999996 110.091 -175.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.549 ' NH1' ' HA ' ' B' ' 109' ' ' ARG . 3.9 ppt_? -113.05 137.16 51.84 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 121.814 0.816 . . . . 73.349999999999994 112.741 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.648 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 36.5 p -88.64 -0.63 57.46 Favored 'General case' 0 C--N 1.267 -3.003 0 CA-C-N 114.883 -1.053 . . . . 73.040000000000006 113.782 -171.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.15 -88.46 0.13 Allowed Glycine 0 CA--C 1.47 -2.738 0 N-CA-C 109.796 -1.321 . . . . 44.119999999999997 109.796 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.549 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 28.3 ptt180 -136.56 178.41 7.09 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.235 -0.654 . . . . 75.209999999999994 109.235 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.451 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 6.2 p . . . . . 0 N--CA 1.426 -1.637 0 N-CA-C 107.806 -1.183 . . . . 72.219999999999999 107.806 173.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 107.609 -1.256 . . . . 64.219999999999999 107.609 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.427 HD21 HG11 ' B' ' 119' ' ' VAL . 3.6 tt -77.93 121.85 24.71 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 105.63 -1.989 . . . . 72.439999999999998 105.63 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.0 p -118.87 -5.11 10.62 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-N 114.913 -1.04 . . . . 75.409999999999997 112.572 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.09 164.09 33.89 Favored Glycine 0 N--CA 1.43 -1.704 0 N-CA-C 110.939 -0.864 . . . . 70.25 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.427 HG11 HD21 ' B' ' 116' ' ' LEU . 5.3 m -140.57 151.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-O 121.199 0.523 . . . . 75.319999999999993 111.292 176.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.4 p -153.07 117.05 4.81 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.603 -1.181 . . . . 74.519999999999996 109.252 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.411 ' HB2' HD23 ' B' ' 126' ' ' LEU . 41.5 tt0 -96.51 112.31 24.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.077 -1.453 . . . . 62.32 107.077 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.409 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 36.2 mt -127.35 135.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 N-CA-C 107.867 -1.161 . . . . 73.019999999999996 107.867 -173.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.405 ' HG ' ' C ' ' B' ' 122' ' ' ILE . 48.1 p 53.98 32.41 15.36 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.384 1.074 . . . . 72.230000000000004 112.455 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.86 -3.79 78.03 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-N 115.835 -0.621 . . . . 62.329999999999998 113.41 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.62 ' NE ' HG21 ' B' ' 107' ' ' THR . 61.8 ttt180 -106.09 138.15 42.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.43 -1.322 . . . . 73.430000000000007 107.43 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.648 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.89 117.86 30.67 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.629 -0.878 . . . . 74.519999999999996 108.629 -175.083 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 81.1 m-85 -98.99 106.58 18.85 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.361 0.601 . . . . 74.540000000000006 110.532 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.459 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 66.0 mtt85 -91.95 139.55 30.54 Favored 'General case' 0 CA--C 1.478 -1.801 0 N-CA-C 108.786 -0.82 . . . . 74.409999999999997 108.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.68 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.1 mt -104.29 122.38 45.29 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 108.346 -0.983 . . . . 74.120000000000005 108.346 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.481 ' HB3' HH21 ' B' ' 106' ' ' ARG . 21.1 p -126.68 143.35 51.26 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.56 -1.274 . . . . 75.450000000000003 107.56 171.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.2 t -136.83 153.27 50.84 Favored 'General case' 0 N--CA 1.406 -2.638 0 C-N-CA 118.691 -1.204 . . . . 54.340000000000003 111.511 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 102' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.933 0 CA-C-N 115.484 -0.78 . . . . 72.349999999999994 110.29 175.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 109.316 -0.624 . . . . 65.349999999999994 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -130.06 112.16 13.19 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.222 -0.658 . . . . 72.439999999999998 109.222 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -122.0 168.19 12.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.792 -1.188 . . . . 71.340000000000003 107.792 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -159.47 134.19 7.93 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.717 0.294 . . . . 74.329999999999998 111.189 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.638 ' SG ' HD23 ' B' ' 129' ' ' LEU . 25.3 m -83.42 120.38 25.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.911 -0.774 . . . . 62.43 108.911 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -138.36 160.79 38.59 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.565 -0.854 . . . . 74.409999999999997 111.276 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.501 HG21 ' NE ' ' A' ' 25' ' ' ARG . 21.1 p -92.84 5.12 52.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 113.164 0.801 . . . . 72.400000000000006 113.164 -174.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.33 -148.95 4.86 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.908 -1.139 . . . . 62.409999999999997 111.435 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -97.77 161.03 13.95 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 120.787 0.327 . . . . 74.040000000000006 110.365 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 p -125.6 168.6 13.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.903 -1.147 . . . . 73.5 107.903 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.3 65.13 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 118.226 0.466 . . . . 71.200000000000003 110.467 -172.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -80.96 88.46 5.91 Favored 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.101 -1.814 . . . . 71.239999999999995 106.101 167.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -80.0 154.43 28.21 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.372 -0.83 . . . . 75.439999999999998 109.044 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 69.69 12.44 8.06 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 122.77 1.271 . . . . 72.209999999999994 110.299 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -90.89 12.65 18.8 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.819 -1.082 . . . . 74.540000000000006 108.183 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD23 HG12 ' A' ' 19' ' ' VAL . 4.0 tt -77.2 112.36 13.81 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 105.598 -2.001 . . . . 72.420000000000002 105.598 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -113.72 -10.55 13.04 Favored 'General case' 0 C--N 1.27 -2.865 0 CA-C-N 113.984 -1.462 . . . . 75.120000000000005 111.19 -172.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.19 164.03 34.37 Favored Glycine 0 N--CA 1.408 -3.173 0 N-CA-C 109.816 -1.313 . . . . 64.120000000000005 109.816 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG12 HD23 ' A' ' 16' ' ' LEU . 27.2 m -139.92 159.75 26.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 121.166 0.508 . . . . 73.25 109.912 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 p -147.35 126.04 12.59 Favored 'General case' 0 C--N 1.27 -2.87 0 CA-C-N 115.176 -0.92 . . . . 53.340000000000003 109.31 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.9 120.68 38.73 Favored 'General case' 0 N--CA 1.405 -2.694 0 N-CA-C 107.729 -1.211 . . . . 65.109999999999999 107.729 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mt -133.97 126.59 50.55 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 114.426 -1.261 . . . . 74.540000000000006 108.287 -173.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 p 55.96 31.7 18.42 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.294 1.438 . . . . 74.200000000000003 112.26 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.06 20.47 79.32 Favored Glycine 0 CA--C 1.504 -0.621 0 N-CA-C 111.856 -0.498 . . . . 74.219999999999999 111.856 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' NE ' HG21 ' A' ' 7' ' ' THR . 66.5 ttt180 -127.56 138.8 52.99 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.693 -1.595 . . . . 72.400000000000006 106.693 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -93.91 129.24 40.42 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.599 -0.841 . . . . 75.439999999999998 111.463 -174.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CZ ' HD11 ' B' ' 122' ' ' ILE . 83.2 m-85 -111.32 117.13 32.29 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 114.686 -1.143 . . . . 74.319999999999993 109.719 176.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -97.98 144.45 27.49 Favored 'General case' 0 CA--C 1.471 -2.061 0 N-CA-C 108.959 -0.756 . . . . 75.0 108.959 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.7 mt -108.55 108.21 19.02 Favored 'General case' 0 N--CA 1.403 -2.824 0 CA-C-N 115.546 -0.752 . . . . 75.430000000000007 109.302 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' SER . 27.1 p -112.27 138.51 48.87 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.195 -1.039 . . . . 65.329999999999998 108.195 172.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 t -143.63 156.31 44.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 119.713 -0.795 . . . . 72.109999999999999 111.417 -167.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.255 1.351 0 CA-C-N 115.672 -0.695 . . . . 63.219999999999999 109.707 -178.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.124 -0.324 . . . . 74.310000000000002 110.124 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 87.0 m -137.36 112.06 8.81 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.778 -0.823 . . . . 74.329999999999998 108.778 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 31.7 m -124.04 164.84 18.57 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.774 -1.195 . . . . 70.099999999999994 107.774 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -156.52 143.66 18.9 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.628 0.251 . . . . 73.530000000000001 110.926 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.696 ' SG ' HD21 ' A' ' 29' ' ' LEU . 49.1 m -79.77 113.16 17.71 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.502 -0.772 . . . . 74.519999999999996 109.138 -177.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.833 ' HD3' ' SG ' ' B' ' 130' ' ' CYS . 13.2 mtm180 -93.75 151.54 19.55 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 107.935 -1.135 . . . . 74.340000000000003 107.935 -178.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 40.8 p -103.75 13.71 32.49 Favored 'General case' 0 C--N 1.269 -2.927 0 CA-C-O 122.485 1.136 . . . . 74.0 109.083 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . 0.52 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -179.06 -102.93 0.16 Allowed Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 113.884 -1.507 . . . . 72.329999999999998 109.386 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -118.8 167.4 11.73 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.26 0.624 . . . . 75.319999999999993 110.553 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.419 ' HB3' ' HD2' ' B' ' 106' ' ' ARG . 26.3 p . . . . . 0 CA--C 1.489 -1.378 0 N-CA-C 108.485 -0.931 . . . . 75.129999999999995 108.485 176.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.425 -1.7 0 CA-C-O 121.565 0.698 . . . . 72.420000000000002 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.512 HD23 HG11 ' B' ' 119' ' ' VAL . 4.1 tt -101.04 115.12 29.73 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 103.688 -2.708 . . . . 70.510000000000005 103.688 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.0 p -111.34 -4.82 14.78 Favored 'General case' 0 C--N 1.274 -2.712 0 CA-C-N 115.754 -0.657 . . . . 75.150000000000006 112.583 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 162.84 32.17 Favored Glycine 0 N--CA 1.42 -2.433 0 C-N-CA 120.608 -0.806 . . . . 71.209999999999994 111.367 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.512 HG11 HD23 ' B' ' 116' ' ' LEU . 3.1 m -143.56 143.54 24.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 123.508 0.723 . . . . 73.209999999999994 111.132 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.2 p -146.21 116.25 7.37 Favored 'General case' 0 C--N 1.273 -2.722 0 CA-C-N 114.823 -1.081 . . . . 73.010000000000005 109.621 175.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.459 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -97.61 121.78 39.92 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 108.075 -1.083 . . . . 72.219999999999999 108.075 177.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.49 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 20.2 mt -135.25 130.73 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.94 0 CA-C-N 114.313 -1.312 . . . . 75.230000000000004 108.148 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p 54.78 31.36 15.38 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 125.845 1.658 . . . . 74.299999999999997 112.567 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.66 14.03 78.79 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 120.971 -0.633 . . . . 74.200000000000003 112.768 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.443 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 65.6 ttt180 -122.99 136.73 54.97 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 107.212 -1.403 . . . . 73.430000000000007 107.212 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.99 118.37 31.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 119.551 -0.86 . . . . 71.319999999999993 109.436 -175.516 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 95.6 m-85 -100.71 111.78 24.07 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.318 -0.856 . . . . 72.109999999999999 109.505 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.52 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 62.8 mtt85 -94.8 152.83 18.09 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 116.063 -0.517 . . . . 73.0 109.844 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.638 HD23 ' SG ' ' A' ' 5' ' ' CYS . 55.2 mt -115.65 124.29 50.52 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 108.994 -0.743 . . . . 62.409999999999997 108.994 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.833 ' SG ' ' HD3' ' B' ' 106' ' ' ARG . 29.9 p -124.46 142.39 51.36 Favored 'General case' 0 CA--C 1.474 -1.951 0 N-CA-C 105.152 -2.166 . . . . 72.530000000000001 105.152 170.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 34.3 t -142.31 155.86 45.22 Favored 'General case' 0 N--CA 1.411 -2.421 0 C-N-CA 118.034 -1.466 . . . . 60.240000000000002 111.843 -171.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 N--CA 1.413 -2.3 0 N-CA-C 107.941 -1.133 . . . . 71.540000000000006 107.941 176.216 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 110.173 -0.306 . . . . 74.230000000000004 110.173 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 m -119.1 112.62 19.77 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 107.823 -1.177 . . . . 72.510000000000005 107.823 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.5 m -121.97 164.52 17.47 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.941 -1.503 . . . . 61.399999999999999 106.941 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -154.53 150.84 28.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 118.112 0.415 . . . . 71.349999999999994 111.683 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.712 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.9 m -98.36 120.02 38.04 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 123.876 0.735 . . . . 73.5 109.96 -174.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 14.2 ptp180 -137.02 168.32 19.82 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.784 0.661 . . . . 75.430000000000007 112.784 176.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 67.4 p -87.53 -12.55 45.5 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.962 -0.563 . . . . 75.450000000000003 112.025 -174.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.477 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -146.9 -131.05 2.15 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.022 -1.085 . . . . 62.25 112.846 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -97.84 169.35 9.72 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 122.769 0.428 . . . . 73.239999999999995 110.731 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 8.3 p -135.38 160.43 38.44 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.261 -0.427 . . . . 75.299999999999997 110.08 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.92 79.03 2.15 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.345 0.593 . . . . 60.439999999999998 111.036 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.1 t 174.11 -44.99 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 114.111 -1.404 . . . . 74.150000000000006 108.575 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 60.42 -179.68 0.1 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 123.667 0.787 . . . . 75.200000000000003 111.07 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 70.61 -48.28 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.765 1.226 . . . . 65.030000000000001 113.416 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 31.3 m -73.72 25.77 0.07 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 124.842 1.257 . . . . 72.109999999999999 113.089 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.52 112.96 16.12 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 104.79 -2.3 . . . . 64.209999999999994 104.79 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -115.75 -1.79 12.57 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.827 -1.079 . . . . 63.130000000000003 112.796 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.26 163.49 33.52 Favored Glycine 0 N--CA 1.415 -2.74 0 C-N-CA 120.314 -0.946 . . . . 73.129999999999995 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.01 152.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 C-N-CA 123.196 0.598 . . . . 72.040000000000006 110.176 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.8 p -148.21 119.9 8.05 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.996 -1.002 . . . . 74.109999999999999 109.63 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.41 117.75 32.35 Favored 'General case' 0 N--CA 1.413 -2.275 0 N-CA-C 107.836 -1.172 . . . . 75.150000000000006 107.836 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.453 HG21 ' HH ' ' B' ' 127' ' ' TYR . 59.6 mt -126.92 123.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 CA-C-N 113.44 -1.709 . . . . 75.409999999999997 109.337 -171.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p 51.69 32.09 8.84 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.132 1.373 . . . . 74.439999999999998 113.548 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.93 10.34 64.81 Favored Glycine 0 C--O 1.242 0.618 0 C-N-CA 120.546 -0.835 . . . . 45.520000000000003 112.817 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.1 136.65 54.38 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 108.224 -1.028 . . . . 73.549999999999997 108.224 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -93.53 121.91 35.42 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.724 -0.843 . . . . 75.319999999999993 108.724 -176.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 72.1 m-85 -103.65 123.97 47.97 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 115.681 -0.69 . . . . 75.239999999999995 110.361 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.477 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 65.2 mtt85 -102.85 143.4 32.51 Favored 'General case' 0 CA--C 1.464 -2.337 0 CA-C-N 115.293 -0.867 . . . . 75.420000000000002 109.337 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.745 HD22 ' SG ' ' B' ' 105' ' ' CYS . 47.2 mt -108.74 107.92 18.55 Favored 'General case' 0 N--CA 1.399 -3.013 0 N-CA-C 107.671 -1.233 . . . . 73.25 107.671 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' SER . 28.1 p -112.53 121.28 44.36 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 107.338 -1.356 . . . . 54.539999999999999 107.338 173.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -109.21 158.41 17.85 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.955 -0.698 . . . . 54.43 110.738 -169.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--O 1.259 1.565 0 CA-C-N 116.334 -0.394 . . . . 75.150000000000006 110.053 -177.775 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.275 -0.639 . . . . 43.130000000000003 109.275 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 42.4 m -123.44 111.34 16.22 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 108.79 -0.819 . . . . 73.510000000000005 108.79 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 33.9 m -125.62 165.84 17.81 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.638 -1.615 . . . . 72.420000000000002 106.638 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -160.35 153.98 22.45 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 118.311 0.505 . . . . 72.420000000000002 111.9 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.745 ' SG ' HD22 ' A' ' 29' ' ' LEU . 32.2 m -94.52 110.49 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.606 -0.724 . . . . 73.030000000000001 110.439 -174.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.538 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.318 2.9 ppt_? -116.64 136.19 53.17 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 114.895 1.443 . . . . 73.129999999999995 114.895 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 76.3 p -78.04 -1.91 34.62 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.761 -1.563 . . . . 72.310000000000002 112.355 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.93 -98.26 0.15 Allowed Glycine 0 CA--C 1.472 -2.604 0 N-CA-C 109.307 -1.517 . . . . 73.540000000000006 109.307 -175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.464 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.4 ptt180 -124.92 178.34 5.56 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 116.928 0.364 . . . . 72.329999999999998 110.215 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.495 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 7.5 p . . . . . 0 C--O 1.248 1.026 0 N-CA-C 108.962 -0.755 . . . . 75.420000000000002 108.962 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.418 -2.07 0 CA-C-O 121.445 0.641 . . . . 62.329999999999998 111.555 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.477 HD22 HG12 ' B' ' 119' ' ' VAL . 3.5 tt -99.87 117.03 33.32 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 103.647 -2.723 . . . . 72.420000000000002 103.647 169.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.7 p -107.95 -7.35 16.23 Favored 'General case' 0 C--N 1.278 -2.541 0 N-CA-C 113.76 1.022 . . . . 60.450000000000003 113.76 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.32 163.58 32.94 Favored Glycine 0 N--CA 1.424 -2.162 0 C-N-CA 120.235 -0.983 . . . . 71.310000000000002 110.937 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.477 HG12 HD22 ' B' ' 116' ' ' LEU . 6.3 m -137.68 146.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.463 0.649 . . . . 74.400000000000006 110.768 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.1 p -146.87 117.72 7.64 Favored 'General case' 0 C--N 1.27 -2.878 0 CA-C-N 114.965 -1.016 . . . . 65.019999999999996 109.737 175.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.23 121.05 38.68 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.097 -1.446 . . . . 62.130000000000003 107.097 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.452 HD12 ' CE2' ' A' ' 27' ' ' TYR . 34.9 mt -131.76 124.82 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 0 CA-C-N 114.244 -1.344 . . . . 73.510000000000005 108.615 -172.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p 54.26 31.58 14.49 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 125.59 1.556 . . . . 60.009999999999998 113.068 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.63 18.42 61.91 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.754 -0.736 . . . . 62.210000000000001 112.609 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -127.88 136.87 51.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.236 -1.024 . . . . 73.340000000000003 108.236 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 121.32 35.39 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 119.758 -0.777 . . . . 75.310000000000002 109.584 -176.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.453 ' HH ' HG21 ' A' ' 22' ' ' ILE . 80.9 m-85 -103.67 113.84 27.66 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 115.416 -0.811 . . . . 74.230000000000004 109.793 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.451 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 58.8 mtt85 -97.98 142.72 29.35 Favored 'General case' 0 CA--C 1.472 -2.028 0 N-CA-C 108.186 -1.042 . . . . 74.239999999999995 108.186 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.712 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.6 mt -105.0 126.21 51.81 Favored 'General case' 0 C--N 1.262 -3.204 0 N-CA-C 108.382 -0.969 . . . . 73.299999999999997 108.382 -178.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.538 ' HB3' HH21 ' B' ' 106' ' ' ARG . 11.5 p -129.04 142.88 50.76 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 108.438 -0.949 . . . . 74.200000000000003 108.438 173.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 5.5 t -126.47 147.57 49.8 Favored 'General case' 0 N--CA 1.404 -2.772 0 N-CA-C 108.648 -0.871 . . . . 74.129999999999995 108.648 -174.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.304 -1.376 0 O-C-N 123.175 0.297 . . . . 75.049999999999997 111.253 -174.781 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 109.45 -0.574 . . . . 74.519999999999996 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.48 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 34.3 m -109.57 110.6 21.72 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.267 -1.012 . . . . 73.030000000000001 108.267 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' B' ' 117' ' ' SER . 7.2 m -132.03 160.34 36.16 Favored 'General case' 0 N--CA 1.418 -2.033 0 N-CA-C 105.065 -2.198 . . . . 74.5 105.065 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -157.69 151.77 24.44 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 118.203 0.456 . . . . 72.430000000000007 111.405 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.672 ' SG ' HD23 ' B' ' 129' ' ' LEU . 28.1 m -87.3 94.64 9.73 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 124.119 0.887 . . . . 74.030000000000001 110.128 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.517 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 12.5 ptt180 -93.0 139.38 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.378 -0.374 . . . . 75.510000000000005 111.545 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.03 0.36 53.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.227 -0.442 . . . . 51.140000000000001 111.159 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -156.29 -117.25 0.55 Allowed Glycine 0 N--CA 1.422 -2.286 0 N-CA-C 110.713 -0.955 . . . . 53.549999999999997 110.713 -174.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 38.7 ptt180 -111.4 177.81 4.54 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 116.989 0.394 . . . . 71.409999999999997 110.709 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 p -146.24 169.03 19.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.229 -1.767 . . . . 54.5 106.229 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -22.2 62.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.759 0.709 . . . . 60.539999999999999 110.269 -174.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -84.56 77.29 10.06 Favored 'General case' 0 N--CA 1.417 -2.117 0 CA-C-O 123.09 1.424 . . . . 72.5 108.414 170.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' SER . 25.5 mmm180 -70.23 153.63 42.86 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.471 -1.24 . . . . 74.430000000000007 110.735 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 73.58 -17.08 0.45 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.773 1.229 . . . . 72.219999999999999 111.585 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 13' ' ' ARG . 23.1 t -85.79 75.13 10.09 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 122.212 1.006 . . . . 71.319999999999993 110.46 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD22 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -101.8 114.46 28.55 Favored 'General case' 0 N--CA 1.415 -2.212 0 N-CA-C 105.92 -1.881 . . . . 64.200000000000003 105.92 172.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -102.88 -15.78 16.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.837 -1.074 . . . . 73.129999999999995 111.224 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.32 34.7 Favored Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 110.732 -0.947 . . . . 51.020000000000003 110.732 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG13 HD22 ' A' ' 16' ' ' LEU . 4.1 m -143.14 149.58 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.025 0 CA-C-O 121.567 0.699 . . . . 74.25 112.531 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.1 p -152.93 114.88 4.34 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.062 -1.426 . . . . 74.109999999999999 108.39 173.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -96.67 107.86 20.38 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.797 -1.186 . . . . 71.349999999999994 107.797 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.44 HD12 ' CE2' ' B' ' 127' ' ' TYR . 28.0 mt -125.66 135.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-N 114.706 -1.133 . . . . 74.450000000000003 109.04 -170.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.409 ' HG ' ' C ' ' A' ' 22' ' ' ILE . 63.8 p 52.48 32.86 12.11 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.575 1.15 . . . . 64.340000000000003 113.108 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.17 -2.12 87.6 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.731 -0.747 . . . . 75.299999999999997 112.811 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -108.4 143.04 37.87 Favored 'General case' 0 CA--C 1.454 -2.726 0 CA-C-O 121.12 0.486 . . . . 73.049999999999997 110.445 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.57 111.88 23.64 Favored 'General case' 0 C--N 1.258 -3.381 0 N-CA-C 106.269 -1.752 . . . . 62.5 106.269 178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.478 ' CE2' HD11 ' B' ' 122' ' ' ILE . 81.2 m-85 -93.78 102.63 14.77 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-O 121.8 0.809 . . . . 74.439999999999998 109.756 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 58.1 mtt85 -90.85 146.19 24.14 Favored 'General case' 0 CA--C 1.47 -2.1 0 CA-C-N 114.885 -1.052 . . . . 74.219999999999999 108.32 177.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.592 HD12 ' SG ' ' B' ' 105' ' ' CYS . 51.6 mt -109.65 112.64 24.83 Favored 'General case' 0 C--N 1.254 -3.563 0 N-CA-C 108.246 -1.02 . . . . 74.150000000000006 108.246 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.3 p -112.15 137.52 50.11 Favored 'General case' 0 CA--C 1.474 -1.957 0 N-CA-C 108.144 -1.058 . . . . 74.219999999999999 108.144 171.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.4 t -133.13 140.28 47.54 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.603 -0.888 . . . . 71.530000000000001 108.603 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 21.6 ptt180 . . . . . 0 C--N 1.318 -0.764 0 C-N-CA 120.393 -0.523 . . . . 74.420000000000002 111.109 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.525 0 CA-C-O 120.746 0.308 . . . . 55.299999999999997 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.9 m -112.8 111.99 23.16 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.605 -1.257 . . . . 74.230000000000004 107.605 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 47.2 m -118.53 157.8 26.62 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.61 -0.885 . . . . 61.039999999999999 108.61 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.17 137.11 16.27 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 120.992 0.425 . . . . 74.340000000000003 111.986 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 29' ' ' LEU . 25.1 m -81.76 112.04 18.55 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.111 -0.949 . . . . 73.239999999999995 109.404 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.489 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.306 1.0 OUTLIER -118.04 136.26 53.66 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 114.33 1.233 . . . . 65.540000000000006 114.33 179.584 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 40.1 p -83.68 18.74 1.83 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 114.345 -1.298 . . . . 65.150000000000006 111.746 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.78 -114.13 0.3 Allowed Glycine 0 N--CA 1.405 -3.416 0 N-CA-C 109.588 -1.405 . . . . 65.010000000000005 109.588 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.484 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 40.0 ptt180 -115.51 178.6 4.24 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 122.965 0.506 . . . . 71.329999999999998 109.686 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.299 -1.622 0 N-CA-C 106.131 -1.803 . . . . 73.439999999999998 106.131 176.167 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.421 -1.888 0 N-CA-C 113.777 1.029 . . . . 70.319999999999993 113.777 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.466 HD22 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -101.97 112.63 25.34 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 104.65 -2.352 . . . . 73.219999999999999 104.65 165.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' SER . . . . . 0.418 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 14.8 m -101.27 -17.57 16.51 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 115.49 -0.777 . . . . 61.030000000000001 111.842 -171.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.88 35.13 Favored Glycine 0 N--CA 1.425 -2.095 0 C-N-CA 120.763 -0.732 . . . . 54.329999999999998 111.291 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.466 HG13 HD22 ' B' ' 116' ' ' LEU . 3.6 m -137.24 144.18 32.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 123.185 0.594 . . . . 74.340000000000003 111.029 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 8.0 p -145.61 119.05 9.02 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.112 -0.949 . . . . 63.119999999999997 109.764 175.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.423 ' HB2' HD21 ' B' ' 126' ' ' LEU . 0.2 OUTLIER -97.95 122.23 40.82 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.838 -1.171 . . . . 73.420000000000002 107.838 178.555 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.478 HD11 ' CE2' ' A' ' 27' ' ' TYR . 23.0 mt -134.98 128.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.123 0 CA-C-N 114.517 -1.219 . . . . 73.420000000000002 107.752 -173.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 80.1 p 54.98 31.81 16.8 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 125.448 1.499 . . . . 65.010000000000005 112.543 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 82.94 4.58 89.95 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 120.864 -0.684 . . . . 64.239999999999995 112.292 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -112.93 136.84 52.14 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.338 -1.356 . . . . 65.239999999999995 107.338 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.4 123.77 38.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 119.307 -0.957 . . . . 75.540000000000006 109.354 -176.52 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.44 ' CE2' HD12 ' A' ' 22' ' ' ILE . 83.5 m-85 -106.07 109.12 20.96 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.471 -0.786 . . . . 65.239999999999995 109.949 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.403 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.7 mtt85 -93.53 147.26 23.15 Favored 'General case' 0 CA--C 1.481 -1.688 0 N-CA-C 108.962 -0.755 . . . . 74.120000000000005 108.962 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.672 HD23 ' SG ' ' A' ' 5' ' ' CYS . 64.7 mt -109.98 120.34 42.16 Favored 'General case' 0 C--N 1.274 -2.713 0 CA-C-N 115.844 -0.616 . . . . 74.230000000000004 109.513 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.489 ' HB3' HH21 ' B' ' 106' ' ' ARG . 3.5 p -117.34 137.27 52.56 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.617 -0.882 . . . . 70.510000000000005 108.617 170.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 17.1 t -139.3 150.32 45.28 Favored 'General case' 0 N--CA 1.404 -2.77 0 C-N-CA 119.329 -0.949 . . . . 73.019999999999996 110.592 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -2.024 0 CA-C-N 114.738 -1.119 . . . . 71.420000000000002 109.97 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.416 0 N-CA-C 109.107 -0.701 . . . . 72.329999999999998 109.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.402 ' HB ' ' HG3' ' A' ' 32' ' ' ARG . 50.0 m -107.8 111.24 23.31 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 107.893 -1.151 . . . . 71.299999999999997 107.893 176.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -124.18 157.85 33.75 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.095 -1.446 . . . . 74.140000000000001 107.095 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -158.64 148.5 19.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.327 -0.99 . . . . 74.420000000000002 108.327 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.742 ' SG ' HD22 ' B' ' 129' ' ' LEU . 28.9 m -88.48 107.0 18.64 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.632 -0.507 . . . . 71.329999999999998 109.632 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -118.6 160.25 22.13 Favored 'General case' 0 C--O 1.193 -1.869 0 C-N-CA 119.794 -0.762 . . . . 64.319999999999993 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.565 HG22 ' NE ' ' A' ' 25' ' ' ARG . 62.0 p -100.81 8.35 43.25 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 113.184 0.809 . . . . 62.229999999999997 113.184 -173.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.3 -136.49 2.49 Favored Glycine 0 CA--C 1.482 -2.027 0 C-N-CA 118.5 -1.809 . . . . 64.0 112.713 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -97.36 162.47 13.31 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 109.809 -0.441 . . . . 73.310000000000002 109.809 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 p -125.03 171.78 9.97 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.004 -1.48 . . . . 62.140000000000001 107.004 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.75 65.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.139 0.881 . . . . 72.109999999999999 110.614 -171.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' HG21 ' A' ' 12' ' ' THR . 9.0 t -95.55 92.49 6.67 Favored 'General case' 0 N--CA 1.408 -2.569 0 N-CA-C 106.398 -1.704 . . . . 54.549999999999997 106.398 167.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 110.81 7.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.162 -0.681 . . . . 74.450000000000003 109.162 -172.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.327 44.4 mt-10 82.17 76.5 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.15 1.452 . . . . 64.25 113.821 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.6 m -142.06 35.16 1.54 Allowed 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 103.656 -2.72 . . . . 71.400000000000006 103.656 173.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.53 HD21 HG13 ' A' ' 19' ' ' VAL . 3.1 tt -78.8 120.75 23.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 111.933 -2.394 . . . . 74.409999999999997 107.539 -175.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 p -111.54 -6.9 14.35 Favored 'General case' 0 C--N 1.277 -2.577 0 CA-C-N 114.938 -1.028 . . . . 73.420000000000002 111.834 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.43 161.14 30.04 Favored Glycine 0 N--CA 1.426 -1.991 0 N-CA-C 110.275 -1.13 . . . . 73.109999999999999 110.275 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG13 HD21 ' A' ' 16' ' ' LEU . 2.7 m -139.16 144.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-O 121.307 0.575 . . . . 75.150000000000006 111.708 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.93 118.11 11.3 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 115.009 -0.996 . . . . 72.010000000000005 110.184 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.43 124.05 41.48 Favored 'General case' 0 N--CA 1.41 -2.435 0 N-CA-C 107.271 -1.381 . . . . 73.120000000000005 107.271 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.526 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.6 mt -128.78 114.47 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 115.43 -0.804 . . . . 63.229999999999997 109.148 -174.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 p 53.77 31.25 12.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 126.157 1.783 . . . . 71.420000000000002 113.459 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.48 -10.34 57.76 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.972 -0.632 . . . . 71.120000000000005 113.726 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' NE ' HG22 ' A' ' 7' ' ' THR . 54.1 ttt180 -104.19 130.7 51.95 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.496 -1.668 . . . . 75.299999999999997 106.496 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -94.31 119.67 33.42 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.635 -0.826 . . . . 73.439999999999998 108.96 -174.171 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' OH ' ' HD3' ' A' ' 25' ' ' ARG . 97.1 m-85 -99.96 111.04 23.36 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-N 115.8 -0.636 . . . . 64.430000000000007 109.89 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -92.35 143.1 26.73 Favored 'General case' 0 CA--C 1.477 -1.828 0 C-N-CA 123.84 0.856 . . . . 74.239999999999995 109.754 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.674 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.3 mt -105.73 107.8 18.99 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 107.891 -1.152 . . . . 74.510000000000005 107.891 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.6 115.47 26.49 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.652 -1.61 . . . . 74.420000000000002 106.652 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 t -113.74 147.78 37.65 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-N 115.164 -0.925 . . . . 75.310000000000002 111.019 -166.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HG3' ' HB ' ' A' ' 2' ' ' THR . 17.8 ptm180 . . . . . 0 C--N 1.304 -1.383 0 CA-C-N 115.626 -0.716 . . . . 75.420000000000002 110.006 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.494 -0.558 . . . . 74.219999999999999 109.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 62.4 m -134.5 112.0 10.55 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.055 -1.091 . . . . 73.349999999999994 108.055 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 6.9 m -133.9 168.7 18.28 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.06 -1.459 . . . . 65.140000000000001 107.06 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -159.71 140.25 12.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.243 0.474 . . . . 75.340000000000003 111.932 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.674 ' SG ' HD21 ' A' ' 29' ' ' LEU . 20.3 m -87.79 115.57 25.33 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-N 115.389 -0.823 . . . . 71.209999999999994 109.284 -177.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -140.54 160.43 40.02 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.28 -0.968 . . . . 74.219999999999999 110.994 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.473 HG23 ' NE ' ' B' ' 125' ' ' ARG . 18.5 p -91.02 15.94 10.56 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 112.794 0.664 . . . . 74.409999999999997 112.794 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.01 -146.3 4.3 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 119.946 -1.121 . . . . 72.019999999999996 112.136 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -98.28 160.96 13.94 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-O 121.55 0.691 . . . . 73.310000000000002 110.896 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.394 -3.251 0 CA-C-N 114.669 -1.15 . . . . 72.450000000000003 108.471 -171.015 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.415 -2.199 0 CA-C-O 121.566 0.698 . . . . 74.340000000000003 112.701 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.511 HD22 HG12 ' B' ' 119' ' ' VAL . 3.2 tt -99.51 113.57 26.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 103.123 -2.917 . . . . 74.030000000000001 103.123 168.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 m -97.35 -19.6 18.39 Favored 'General case' 0 C--N 1.264 -3.137 0 CA-C-N 114.87 -1.059 . . . . 71.150000000000006 112.254 -168.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.26 164.78 34.85 Favored Glycine 0 N--CA 1.428 -1.846 0 N-CA-C 110.883 -0.887 . . . . 51.329999999999998 110.883 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.511 HG12 HD22 ' B' ' 116' ' ' LEU . 7.6 m -134.51 155.82 39.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 CA-C-O 121.032 0.444 . . . . 72.329999999999998 110.431 173.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 9.9 p -149.67 117.18 6.13 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 114.817 -1.083 . . . . 53.420000000000002 109.039 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.468 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.74 118.74 34.96 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 107.362 -1.347 . . . . 74.030000000000001 107.362 178.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.448 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 37.0 mt -133.69 128.39 54.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 CA-C-N 114.361 -1.291 . . . . 75.310000000000002 108.323 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 68.5 p 56.53 32.32 20.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.243 1.417 . . . . 74.219999999999999 112.91 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 80.28 15.82 77.66 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.421 -0.419 . . . . 74.109999999999999 112.213 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.473 ' NE ' HG23 ' B' ' 107' ' ' THR . 52.2 ttt180 -126.86 135.25 50.72 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.118 -1.438 . . . . 74.450000000000003 107.118 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.08 118.84 32.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.811 -0.756 . . . . 75.230000000000004 109.359 -174.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.526 ' CE2' HD13 ' A' ' 22' ' ' ILE . 86.7 m-85 -101.63 114.75 29.08 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.53 -0.759 . . . . 73.329999999999998 110.038 176.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -91.54 148.72 22.08 Favored 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 109.5 -0.556 . . . . 73.450000000000003 109.5 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.742 HD22 ' SG ' ' A' ' 5' ' ' CYS . 58.3 mt -114.4 106.74 14.66 Favored 'General case' 0 N--CA 1.39 -3.444 0 N-CA-C 106.733 -1.581 . . . . 72.239999999999995 106.733 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 14.6 p -106.48 136.06 46.9 Favored 'General case' 0 C--N 1.263 -3.17 0 N-CA-C 106.733 -1.58 . . . . 62.509999999999998 106.733 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.1 t -132.9 152.52 51.87 Favored 'General case' 0 N--CA 1.404 -2.763 0 C-N-CA 118.555 -1.258 . . . . 74.319999999999993 110.931 -174.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' B' ' 132' ' ' ARG . 14.4 ptm180 . . . . . 0 N--CA 1.433 -1.317 0 CA-C-N 115.036 -0.984 . . . . 74.200000000000003 109.292 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.759 0 N-CA-C 109.041 -0.725 . . . . 63.030000000000001 109.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.2 m -118.98 112.01 19.05 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.568 -0.901 . . . . 74.549999999999997 108.568 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -124.25 165.77 17.05 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.235 -1.765 . . . . 74.109999999999999 106.235 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.484 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 26.8 p90 -158.87 152.63 23.23 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 118.041 0.382 . . . . 74.129999999999995 111.707 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.596 ' SG ' HD22 ' B' ' 129' ' ' LEU . 26.9 m -87.56 109.37 19.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.136 -0.938 . . . . 70.409999999999997 108.81 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 15.3 ptt180 -105.69 150.05 25.83 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 116.051 -0.522 . . . . 74.409999999999997 110.651 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -90.24 -4.79 56.98 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.328 0.585 . . . . 72.439999999999998 111.499 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -162.32 -110.37 0.25 Allowed Glycine 0 N--CA 1.414 -2.809 0 N-CA-C 110.378 -1.089 . . . . 72.439999999999998 110.378 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -98.14 177.82 5.28 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.029 -0.73 . . . . 73.439999999999998 109.029 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 17.5 p -146.46 145.62 30.27 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.141 -1.059 . . . . 63.420000000000002 108.141 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 85.6 1.51 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.606 0.717 . . . . 73.310000000000002 110.733 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t 173.14 -36.13 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 126.204 1.802 . . . . 70.340000000000003 106.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 53.65 -173.92 0.04 OUTLIER 'General case' 0 C--N 1.373 1.595 0 N-CA-C 114.201 1.186 . . . . 75.219999999999999 114.201 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 69.32 -55.46 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.558 1.543 . . . . 63.109999999999999 114.285 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.5 m -80.89 77.0 7.81 Favored 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 112.653 0.612 . . . . 74.319999999999993 112.653 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 HD21 HG11 ' A' ' 19' ' ' VAL . 4.5 tt -95.7 108.08 20.34 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 104.005 -2.591 . . . . 74.010000000000005 104.005 169.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -111.26 -5.9 14.62 Favored 'General case' 0 C--N 1.266 -3.035 0 CA-C-N 114.64 -1.164 . . . . 75.549999999999997 113.237 -168.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.92 163.64 33.3 Favored Glycine 0 N--CA 1.417 -2.588 0 N-CA-C 110.369 -1.092 . . . . 64.409999999999997 110.369 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 16' ' ' LEU . 11.5 m -142.64 149.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 121.672 0.748 . . . . 72.409999999999997 110.987 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.9 p -146.01 114.97 6.95 Favored 'General case' 0 C--N 1.27 -2.852 0 CA-C-N 114.703 -1.135 . . . . 75.510000000000005 109.496 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HB2' HD21 ' A' ' 26' ' ' LEU . 1.2 tm-20 -96.19 121.37 37.9 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.133 -1.062 . . . . 75.230000000000004 108.133 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.54 HD12 ' CE2' ' B' ' 127' ' ' TYR . 24.8 mt -134.04 127.83 52.13 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-N 114.143 -1.39 . . . . 75.129999999999995 107.89 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.3 p 52.4 32.5 11.31 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 124.857 1.263 . . . . 72.450000000000003 112.924 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 -6.5 83.22 Favored Glycine 0 C--O 1.244 0.748 0 C-N-CA 121.444 -0.408 . . . . 74.510000000000005 113.013 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -103.86 137.22 42.16 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.678 -0.86 . . . . 74.430000000000007 108.678 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.91 117.46 30.13 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 108.589 -0.893 . . . . 75.310000000000002 108.589 -176.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 80.2 m-85 -99.27 115.24 28.69 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-N 115.692 -0.685 . . . . 74.25 109.72 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 69.2 mtt85 -94.07 155.02 17.32 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 115.695 -0.684 . . . . 72.230000000000004 109.209 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD21 ' SG ' ' B' ' 105' ' ' CYS . 67.4 mt -116.43 126.45 53.45 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 109.236 -0.653 . . . . 71.439999999999998 109.236 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.3 p -128.51 142.27 51.13 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 107.21 -1.404 . . . . 51.200000000000003 107.21 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -131.33 150.27 52.22 Favored 'General case' 0 N--CA 1.415 -2.204 0 C-N-CA 119.003 -1.079 . . . . 74.319999999999993 110.159 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--O 1.256 1.406 0 N-CA-C 109.109 -0.7 . . . . 73.319999999999993 109.109 -178.468 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.503 0.192 . . . . 74.510000000000005 110.801 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.411 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 59.5 m -122.77 112.62 18.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.406 -0.961 . . . . 62.240000000000002 108.406 173.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.09 155.06 28.83 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.053 -1.462 . . . . 55.210000000000001 107.053 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -148.51 137.99 22.01 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.363 -0.535 . . . . 74.409999999999997 112.412 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.68 ' SG ' HD21 ' A' ' 29' ' ' LEU . 35.4 m -79.57 105.88 11.19 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.965 -1.016 . . . . 63.210000000000001 108.808 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.462 ' HG2' ' HB3' ' B' ' 110' ' ' CYS 0.269 0.4 OUTLIER -113.62 141.28 47.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.314 0.857 . . . . 71.540000000000006 113.314 -178.904 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 -2.68 48.01 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.771 -1.104 . . . . 71.049999999999997 112.63 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . 0.515 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -160.43 -105.42 0.2 Allowed Glycine 0 N--CA 1.415 -2.748 0 C-N-CA 120.075 -1.059 . . . . 75.340000000000003 110.655 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -98.72 179.34 4.7 Favored 'General case' 0 C--N 1.281 -2.403 0 N-CA-C 109.222 -0.659 . . . . 74.209999999999994 109.222 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.462 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.3 p . . . . . 0 CA--C 1.484 -1.57 0 N-CA-C 108.627 -0.879 . . . . 74.209999999999994 108.627 169.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.442 -0.874 0 N-CA-C 107.918 -1.142 . . . . 75.400000000000006 107.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.481 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.92 118.43 20.93 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.837 -1.172 . . . . 75.129999999999995 107.837 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.6 p -114.61 -8.31 12.72 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.596 -1.184 . . . . 72.319999999999993 112.587 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.94 163.61 33.24 Favored Glycine 0 N--CA 1.437 -1.295 0 N-CA-C 110.74 -0.944 . . . . 74.099999999999994 110.74 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.481 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -141.54 145.42 24.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.282 0.563 . . . . 60.43 111.748 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 7.3 p -145.03 116.9 8.23 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 114.922 -1.035 . . . . 65.540000000000006 109.077 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -97.35 108.31 21.01 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.471 -0.937 . . . . 63.310000000000002 108.471 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.432 HD12 ' CE2' ' A' ' 27' ' ' TYR . 28.8 mt -121.46 128.71 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 115.056 -0.975 . . . . 73.099999999999994 109.015 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.8 p 56.12 32.32 19.89 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.606 1.562 . . . . 74.409999999999997 113.144 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.05 -0.46 89.01 Favored Glycine 0 C--N 1.321 -0.299 0 C-N-CA 121.21 -0.519 . . . . 72.25 112.651 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.5 ttm180 -107.56 136.62 47.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 107.665 -1.235 . . . . 64.430000000000007 107.665 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.95 119.14 32.45 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 108.266 -1.013 . . . . 71.430000000000007 108.266 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.54 ' CE2' HD12 ' A' ' 22' ' ' ILE . 77.8 m-85 -98.97 107.17 19.54 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-N 115.803 -0.635 . . . . 75.340000000000003 110.26 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 73.0 mtt85 -92.13 143.67 26.21 Favored 'General case' 0 CA--C 1.478 -1.826 0 CA-C-N 115.446 -0.797 . . . . 72.439999999999998 109.115 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.596 HD22 ' SG ' ' A' ' 5' ' ' CYS . 57.3 mt -107.44 132.05 53.62 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.896 -0.593 . . . . 74.219999999999999 109.555 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.444 ' HB3' HH21 ' B' ' 106' ' ' ARG . 7.5 p -133.17 141.94 48.37 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.727 -1.583 . . . . 73.409999999999997 106.727 169.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -132.37 157.98 43.12 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 118.602 -1.239 . . . . 74.409999999999997 111.384 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.411 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 16.4 ptm180 . . . . . 0 N--CA 1.423 -1.795 0 C-N-CA 124.169 0.988 . . . . 73.420000000000002 108.767 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 108.468 -0.938 . . . . 75.430000000000007 108.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.51 111.38 17.62 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 108.758 -0.83 . . . . 75.239999999999995 108.758 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 m -125.27 157.18 37.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 105.751 -1.944 . . . . 55.030000000000001 105.751 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -153.27 147.79 26.08 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 120.752 0.311 . . . . 74.510000000000005 110.483 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.65 ' SG ' HD23 ' B' ' 129' ' ' LEU . 32.6 m -86.52 103.14 14.76 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.381 -0.827 . . . . 73.439999999999998 108.807 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.533 HH11 ' HA ' ' A' ' 9' ' ' ARG . 12.8 ptt180 -91.84 145.0 24.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.991 0.424 . . . . 74.200000000000003 110.893 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -96.32 13.35 27.94 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.379 -0.828 . . . . 52.509999999999998 110.571 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.85 -111.41 0.25 Allowed Glycine 0 N--CA 1.417 -2.574 0 N-CA-C 109.707 -1.357 . . . . 44.240000000000002 109.707 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HA ' HH11 ' A' ' 6' ' ' ARG . 15.4 ptt180 -111.63 178.59 4.28 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.766 -0.457 . . . . 72.140000000000001 109.766 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.523 ' C ' ' H ' ' A' ' 12' ' ' THR . 9.5 p -144.71 165.82 26.98 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.834 -0.802 . . . . 63.140000000000001 108.834 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.4 29.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.891 0.853 . . . . 72.340000000000003 111.202 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.0 t -157.86 41.7 0.29 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.307 -1.738 . . . . 63.0 106.307 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -58.77 150.46 23.66 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.999 -1.0 . . . . 74.430000000000007 110.73 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 78.13 1.44 2.75 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.679 1.191 . . . . 72.340000000000003 112.33 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -103.26 38.75 1.7 Allowed 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 105.687 -1.968 . . . . 71.319999999999993 105.687 171.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 HG12 ' A' ' 19' ' ' VAL . 4.1 tt -78.78 119.35 21.87 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 106.514 -1.662 . . . . 74.549999999999997 106.514 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -106.2 -12.34 15.76 Favored 'General case' 0 C--N 1.273 -2.743 0 CA-C-N 114.955 -1.02 . . . . 61.450000000000003 112.792 -172.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.46 163.68 33.68 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 111.423 -0.671 . . . . 65.450000000000003 111.423 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.524 HG12 HD21 ' A' ' 16' ' ' LEU . 7.2 m -139.87 147.82 23.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-O 121.098 0.475 . . . . 75.040000000000006 111.235 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.8 p -147.01 119.88 8.7 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 114.611 -1.177 . . . . 64.219999999999999 109.047 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.24 108.51 21.25 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.031 -1.47 . . . . 75.230000000000004 107.031 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.401 HD12 ' CZ ' ' B' ' 127' ' ' TYR . 35.7 mt -124.23 133.27 69.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 108.24 -1.022 . . . . 74.530000000000001 108.24 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p 54.17 32.26 15.59 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.425 1.09 . . . . 61.119999999999997 111.873 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.06 -17.32 33.02 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.767 -0.651 . . . . 60.140000000000001 113.371 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.465 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 40.4 ttm180 -89.58 137.77 32.04 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.771 -0.826 . . . . 75.019999999999996 108.771 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 117.54 30.25 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.264 -1.013 . . . . 64.439999999999998 108.264 -177.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CE2' HD11 ' B' ' 122' ' ' ILE . 83.8 m-85 -97.11 116.01 28.54 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.122 -0.945 . . . . 62.310000000000002 109.597 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 68.4 mtt85 -102.69 143.83 31.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 108.567 -0.901 . . . . 74.430000000000007 108.567 177.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD21 ' SG ' ' B' ' 105' ' ' CYS . 48.4 mt -107.5 124.67 50.23 Favored 'General case' 0 C--N 1.254 -3.556 0 N-CA-C 108.446 -0.946 . . . . 73.120000000000005 108.446 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 p -129.87 139.66 51.13 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.785 -1.561 . . . . 70.239999999999995 106.785 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -137.19 154.84 50.11 Favored 'General case' 0 N--CA 1.42 -1.955 0 C-N-CA 119.032 -1.067 . . . . 61.119999999999997 111.148 -169.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.449 0 N-CA-C 108.766 -0.827 . . . . 74.420000000000002 108.766 178.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.867 0 N-CA-C 110.469 -0.197 . . . . 42.200000000000003 110.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.453 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 89.4 m -114.6 112.47 22.96 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.32 -0.993 . . . . 63.340000000000003 108.32 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.6 m -118.68 162.8 17.82 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.959 -1.126 . . . . 73.540000000000006 107.959 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -155.49 148.84 24.87 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.656 0.265 . . . . 72.239999999999995 110.786 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.571 ' SG ' HD21 ' A' ' 29' ' ' LEU . 21.5 m -88.53 106.09 18.07 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.308 -0.86 . . . . 71.219999999999999 108.78 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.482 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.7 ptt180 -100.42 145.92 27.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.804 0.335 . . . . 72.420000000000002 111.226 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -88.9 0.5 56.54 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 122.885 0.474 . . . . 74.010000000000005 111.608 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -164.44 -116.19 0.36 Allowed Glycine 0 N--CA 1.421 -2.341 0 N-CA-C 110.419 -1.072 . . . . 64.209999999999994 110.419 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.482 ' HA ' HH11 ' B' ' 106' ' ' ARG . 24.9 ptt180 -104.23 167.83 9.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.361 0.601 . . . . 73.040000000000006 112.036 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.299 -1.618 0 N-CA-C 107.121 -1.437 . . . . 73.329999999999998 107.121 174.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 106.172 -1.788 . . . . 73.420000000000002 106.172 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.456 HD23 HG11 ' B' ' 119' ' ' VAL . 4.1 tt -78.38 121.27 24.27 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 105.873 -1.899 . . . . 75.239999999999995 105.873 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.9 p -110.15 -19.39 13.05 Favored 'General case' 0 C--N 1.272 -2.787 0 CA-C-N 114.794 -1.094 . . . . 74.239999999999995 112.868 -172.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.29 164.4 34.85 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.984 -1.246 . . . . 64.200000000000003 109.984 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.456 HG11 HD23 ' B' ' 116' ' ' LEU . 28.4 m -134.75 159.16 41.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-O 121.467 0.651 . . . . 75.409999999999997 111.538 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 4.1 p -147.55 119.64 8.26 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-N 114.469 -1.241 . . . . 62.43 109.499 173.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.403 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.7 tm-20 -97.32 122.16 40.04 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 108.061 -1.088 . . . . 72.120000000000005 108.061 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 27' ' ' TYR . 29.1 mt -134.12 126.16 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.093 0 CA-C-N 114.551 -1.204 . . . . 75.319999999999993 108.592 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.5 p 52.6 32.78 12.31 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 125.249 1.42 . . . . 75.040000000000006 113.159 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.97 80.22 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.867 -0.683 . . . . 62.229999999999997 112.874 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -113.69 138.78 49.74 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.618 -0.882 . . . . 74.409999999999997 108.618 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.436 HD13 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.95 120.24 33.94 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.886 -0.783 . . . . 75.400000000000006 108.886 -177.26 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 83.6 m-85 -101.91 114.68 28.98 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.534 -0.757 . . . . 74.239999999999995 109.623 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.401 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.7 mtt85 -96.75 152.07 19.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.65 -0.705 . . . . 74.430000000000007 109.893 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.65 HD23 ' SG ' ' A' ' 5' ' ' CYS . 57.0 mt -113.91 123.93 50.95 Favored 'General case' 0 C--N 1.271 -2.845 0 N-CA-C 108.706 -0.85 . . . . 74.310000000000002 108.706 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.8 p -129.15 140.43 51.53 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.947 -1.871 . . . . 75.299999999999997 105.947 170.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.26 154.38 50.14 Favored 'General case' 0 N--CA 1.418 -2.067 0 C-N-CA 117.817 -1.553 . . . . 62.219999999999999 112.203 -168.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 1.5 ptm180 . . . . . 0 N--CA 1.417 -2.102 0 CA-C-N 114.904 -1.044 . . . . 72.510000000000005 109.039 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 120.883 0.373 . . . . 73.209999999999994 110.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.05 111.85 18.4 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 106.927 -1.508 . . . . 74.219999999999999 106.927 173.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.55 159.86 29.67 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.918 -1.512 . . . . 72.409999999999997 106.918 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -155.67 149.14 24.92 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 111.553 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.676 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.5 m -87.27 106.61 18.03 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.358 -0.837 . . . . 72.230000000000004 109.46 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HD2' ' HB2' ' A' ' 28' ' ' ARG 0.284 2.8 ppt_? -109.97 136.52 49.12 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 113.453 0.909 . . . . 75.219999999999999 113.453 -179.796 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p -87.48 7.85 27.49 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 114.384 -1.28 . . . . 73.310000000000002 111.864 -172.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.83 -108.64 0.23 Allowed Glycine 0 CA--C 1.459 -3.443 0 N-CA-C 108.305 -1.918 . . . . 75.209999999999994 108.305 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -117.57 178.5 4.37 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 109.622 -0.51 . . . . 65.319999999999993 109.622 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 6.7 p -146.92 166.18 27.52 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.486 -1.302 . . . . 72.150000000000006 107.486 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.16 69.47 5.36 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.64 0.733 . . . . 73.430000000000007 110.526 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 168.95 30.74 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 126.727 2.011 . . . . 54.210000000000001 106.02 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.79 146.18 17.82 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.401 -0.818 . . . . 74.200000000000003 111.333 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.369 0.4 OUTLIER 87.12 -12.64 0.52 Allowed 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 125.141 1.376 . . . . 65.200000000000003 112.48 -173.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -90.71 68.94 6.57 Favored 'General case' 0 N--CA 1.414 -2.232 0 N-CA-C 106.375 -1.713 . . . . 71.319999999999993 106.375 166.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.541 HD23 HG13 ' A' ' 19' ' ' VAL . 3.7 tt -100.27 115.95 31.13 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 105.597 -2.001 . . . . 73.5 105.597 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -103.51 -18.47 14.77 Favored 'General case' 0 C--N 1.267 -3.007 0 CA-C-N 114.756 -1.111 . . . . 73.230000000000004 111.491 -171.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 164.49 34.97 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 110.538 -1.025 . . . . 73.409999999999997 110.538 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.541 HG13 HD23 ' A' ' 16' ' ' LEU . 12.3 m -138.53 156.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-O 121.415 0.626 . . . . 61.100000000000001 111.882 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.3 p -154.0 122.21 6.1 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.473 -1.24 . . . . 63.140000000000001 108.979 175.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.06 120.89 39.25 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.851 -1.166 . . . . 74.230000000000004 107.851 177.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.498 HD12 ' CE2' ' B' ' 127' ' ' TYR . 34.8 mt -134.04 128.0 52.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 CA-C-N 114.863 -1.062 . . . . 74.430000000000007 108.907 -172.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p 54.46 31.96 15.75 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.877 1.671 . . . . 75.200000000000003 113.145 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.54 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.713 -0.756 . . . . 73.25 112.866 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -125.69 142.07 51.7 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 108.465 -0.939 . . . . 74.5 108.465 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.04 122.98 37.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 119.835 -0.746 . . . . 71.129999999999995 109.296 -176.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 84.4 m-85 -103.98 109.09 20.72 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.477 -0.783 . . . . 72.040000000000006 110.305 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.488 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 58.0 mtt85 -96.15 139.46 32.28 Favored 'General case' 0 CA--C 1.487 -1.461 0 N-CA-C 108.332 -0.988 . . . . 72.150000000000006 108.332 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.662 HD21 ' SG ' ' B' ' 105' ' ' CYS . 49.6 mt -105.2 117.09 33.12 Favored 'General case' 0 C--N 1.266 -3.049 0 N-CA-C 109.054 -0.721 . . . . 72.5 109.054 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.6 p -116.1 142.73 46.43 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.186 -1.042 . . . . 64.409999999999997 108.186 173.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 t -136.07 158.6 44.01 Favored 'General case' 0 N--CA 1.411 -2.387 0 C-N-CA 118.97 -1.092 . . . . 73.25 111.125 -172.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.255 1.38 0 CA-C-N 115.324 -0.853 . . . . 73.219999999999999 109.2 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 109.724 -0.473 . . . . 74.299999999999997 109.724 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 56.6 m -116.41 112.29 21.26 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.452 -0.944 . . . . 72.209999999999994 108.452 175.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.3 m -117.16 164.25 15.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.568 -1.271 . . . . 74.030000000000001 107.568 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -158.75 150.6 21.09 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.97 -0.381 . . . . 75.420000000000002 109.97 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.662 ' SG ' HD21 ' A' ' 29' ' ' LEU . 34.0 m -91.39 112.98 25.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 123.777 0.673 . . . . 72.329999999999998 109.87 -175.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' B' ' 127' ' ' TYR . 13.1 ptt180 -106.38 147.94 28.66 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.379 -0.373 . . . . 70.310000000000002 110.864 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 51.9 p -87.93 -7.71 56.75 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.293 0.568 . . . . 64.400000000000006 110.99 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . 0.505 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -162.3 -91.5 0.08 OUTLIER Glycine 0 N--CA 1.414 -2.785 0 N-CA-C 110.524 -1.03 . . . . 53.32 110.524 -176.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -114.28 171.63 7.5 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.389 0.614 . . . . 72.129999999999995 111.76 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.304 -1.397 0 N-CA-C 106.885 -1.524 . . . . 61.100000000000001 106.885 175.733 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 N--CA 1.432 -1.34 0 N-CA-C 107.221 -1.4 . . . . 74.340000000000003 107.221 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.506 HD23 HG11 ' B' ' 119' ' ' VAL . 4.2 tt -99.47 123.04 43.39 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.455 -1.683 . . . . 74.200000000000003 106.455 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 p -114.26 -9.5 12.83 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 115.56 -0.745 . . . . 73.430000000000007 112.774 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.42 163.59 33.57 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 111.213 -0.755 . . . . 71.230000000000004 111.213 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.506 HG11 HD23 ' B' ' 116' ' ' LEU . 4.6 m -138.67 144.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 121.567 0.699 . . . . 75.519999999999996 111.688 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.86 114.7 8.58 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.892 -1.049 . . . . 75.400000000000006 109.443 174.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -97.03 108.78 21.58 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 107.039 -1.467 . . . . 74.040000000000006 107.039 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.426 HD13 ' CE2' ' A' ' 27' ' ' TYR . 36.0 mt -118.23 129.57 74.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 CA-C-N 114.825 -1.08 . . . . 75.010000000000005 108.338 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 63.8 p 53.4 32.37 13.74 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.769 1.228 . . . . 62.439999999999998 112.066 -177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.26 -11.17 63.85 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 115.746 -0.661 . . . . 73.329999999999998 113.12 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -95.6 138.69 32.92 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.94 -1.133 . . . . 75.109999999999999 107.94 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.87 122.1 36.01 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 119.184 -1.007 . . . . 73.530000000000001 109.01 -175.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.498 ' CE2' HD12 ' A' ' 22' ' ' ILE . 60.6 m-85 -103.74 109.71 21.53 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 115.539 -0.755 . . . . 74.420000000000002 110.065 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.505 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 65.0 mtt85 -89.89 150.93 21.99 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.651 -0.87 . . . . 75.540000000000006 108.651 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.676 HD21 ' SG ' ' A' ' 5' ' ' CYS . 66.7 mt -112.25 125.33 54.04 Favored 'General case' 0 C--N 1.267 -3.001 0 N-CA-C 108.884 -0.784 . . . . 65.430000000000007 108.884 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.8 p -125.72 132.01 52.45 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 106.823 -1.547 . . . . 74.450000000000003 106.823 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -131.53 151.26 51.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 118.699 -1.2 . . . . 63.109999999999999 111.65 -170.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.448 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 16.1 ptm180 . . . . . 0 N--CA 1.426 -1.646 0 CA-C-O 117.938 -1.03 . . . . 74.219999999999999 108.754 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 109.31 -0.626 . . . . 65.319999999999993 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -112.19 110.87 21.37 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 108.434 -0.95 . . . . 73.319999999999993 108.434 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.7 m -122.52 161.16 24.15 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 106.81 -1.552 . . . . 61.32 106.81 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -154.34 153.63 31.97 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.623 0.249 . . . . 74.230000000000004 110.845 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.682 ' SG ' HD21 ' B' ' 129' ' ' LEU . 23.8 m -94.01 106.39 18.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.408 -0.814 . . . . 61.299999999999997 109.048 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 14.2 ptt180 -99.8 147.92 24.97 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 111.054 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.6 p -90.21 5.59 46.4 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.381 0.61 . . . . 71.420000000000002 111.403 -178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -173.25 -108.73 0.22 Allowed Glycine 0 N--CA 1.424 -2.114 0 N-CA-C 110.295 -1.122 . . . . 75.230000000000004 110.295 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HA ' HH11 ' A' ' 6' ' ' ARG . 16.5 ptt180 -100.94 167.6 10.16 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.098 0.475 . . . . 73.010000000000005 111.361 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.407 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 13.1 p -136.27 167.05 22.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.35 -1.352 . . . . 63.350000000000001 107.35 173.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 72.2 1.43 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 118.561 0.619 . . . . 75.25 112.57 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t 178.0 -60.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.79 1.236 . . . . 63.149999999999999 110.742 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 15' ' ' SER . 0.5 OUTLIER 61.69 175.42 0.12 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.901 0.881 . . . . 75.329999999999998 111.123 -172.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 69.14 -33.29 0.24 Allowed 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 123.975 0.91 . . . . 75.540000000000006 112.028 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 13' ' ' ARG . 25.1 p -85.45 32.22 0.57 Allowed 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 125.132 1.373 . . . . 75.329999999999998 111.288 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD23 HG11 ' A' ' 19' ' ' VAL . 4.0 tt -78.27 117.24 19.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.016 -1.846 . . . . 74.299999999999997 106.016 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -109.91 -6.63 15.15 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 114.84 -1.073 . . . . 71.510000000000005 112.145 -172.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.76 163.6 33.35 Favored Glycine 0 N--CA 1.423 -2.221 0 C-N-CA 120.218 -0.992 . . . . 52.039999999999999 111.971 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.528 HG11 HD23 ' A' ' 16' ' ' LEU . 7.4 m -141.69 145.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 123.233 0.613 . . . . 75.319999999999993 111.069 177.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -144.93 121.61 11.15 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.031 -0.986 . . . . 74.25 109.245 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -97.86 110.65 23.18 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.073 -1.084 . . . . 65.25 108.073 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -123.25 135.14 64.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 115.164 -0.926 . . . . 73.209999999999994 108.521 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 52.59 31.84 10.72 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.791 1.237 . . . . 73.329999999999998 111.582 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.24 83.86 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.593 -0.731 . . . . 73.120000000000005 113.217 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -107.67 142.47 37.59 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.926 -1.138 . . . . 74.540000000000006 107.926 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.89 125.95 38.81 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.086 -1.046 . . . . 72.439999999999998 109.424 -176.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 78.7 m-85 -107.04 118.56 37.02 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 115.026 -0.988 . . . . 73.420000000000002 110.142 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.3 mtt85 -100.07 152.25 20.44 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-N 115.318 -0.855 . . . . 72.209999999999994 108.863 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.632 HD23 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.69 126.53 54.98 Favored 'General case' 0 C--N 1.268 -2.948 0 N-CA-C 109.177 -0.675 . . . . 74.409999999999997 109.177 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.24 142.02 48.33 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.86 -1.904 . . . . 62.32 105.86 171.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -127.93 148.77 50.51 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 118.609 -1.236 . . . . 72.329999999999998 110.715 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--N 1.308 -1.203 0 CA-C-N 115.612 -0.722 . . . . 75.109999999999999 109.675 -175.874 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.298 -0.26 . . . . 63.329999999999998 110.298 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 88.2 m -132.78 113.14 12.59 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.944 -0.761 . . . . 75.409999999999997 108.944 175.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 11.1 m -130.52 164.05 25.7 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.404 -1.702 . . . . 72.510000000000005 106.404 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.454 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 35.0 p90 -157.54 153.4 26.9 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.478 0.581 . . . . 74.310000000000002 112.153 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.632 ' SG ' HD23 ' A' ' 29' ' ' LEU . 18.3 m -87.22 102.48 14.52 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.084 -0.962 . . . . 71.540000000000006 110.097 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 11.4 ptt180 -101.81 141.26 34.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.763 0.316 . . . . 74.209999999999994 111.071 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 63.4 p -89.36 5.15 46.4 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.409 0.623 . . . . 72.420000000000002 111.313 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . 0.542 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -162.51 -116.3 0.38 Allowed Glycine 0 N--CA 1.427 -1.959 0 N-CA-C 108.885 -1.686 . . . . 71.329999999999998 108.885 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.454 ' HA ' HH11 ' B' ' 106' ' ' ARG . 40.1 ptt180 -103.08 177.66 4.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.794 -0.817 . . . . 75.109999999999999 108.794 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.454 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 13.5 p . . . . . 0 C--N 1.3 -1.562 0 N-CA-C 109.031 -0.729 . . . . 71.230000000000004 109.031 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.414 -2.243 0 CA-C-O 121.185 0.517 . . . . 74.150000000000006 111.584 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.544 HD23 HG11 ' B' ' 119' ' ' VAL . 4.2 tt -87.75 116.77 26.13 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.383 -2.451 . . . . 65.349999999999994 104.383 170.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.9 p -107.4 -11.36 15.54 Favored 'General case' 0 C--N 1.273 -2.733 0 N-CA-C 112.969 0.729 . . . . 72.129999999999995 112.969 -172.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.74 163.83 33.71 Favored Glycine 0 N--CA 1.422 -2.257 0 N-CA-C 110.603 -0.999 . . . . 74.019999999999996 110.603 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.544 HG11 HD23 ' B' ' 116' ' ' LEU . 9.6 m -137.02 150.3 26.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 CA-C-O 121.619 0.723 . . . . 75.120000000000005 110.859 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 7.9 p -148.47 121.14 8.61 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 114.729 -1.123 . . . . 71.430000000000007 109.169 175.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.431 ' HB2' HD23 ' B' ' 126' ' ' LEU . 1.6 tm-20 -97.77 119.2 35.93 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.959 -1.126 . . . . 63.009999999999998 107.959 177.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 30.8 mt -135.87 136.21 50.13 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 N-CA-C 107.144 -1.428 . . . . 75.430000000000007 107.144 -172.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.4 p 53.03 31.45 11.12 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 124.729 1.212 . . . . 72.420000000000002 112.253 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.04 11.54 84.71 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.681 -0.771 . . . . 71.519999999999996 112.574 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -120.53 141.15 50.52 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.769 -1.197 . . . . 73.150000000000006 107.769 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.85 125.97 38.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 119.358 -0.937 . . . . 64.299999999999997 109.013 -176.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 78.3 m-85 -108.13 113.99 27.54 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 115.147 -0.933 . . . . 71.310000000000002 110.434 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.445 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 72.0 mtt85 -96.17 147.07 24.14 Favored 'General case' 0 CA--C 1.475 -1.92 0 N-CA-C 108.223 -1.029 . . . . 74.430000000000007 108.223 176.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.682 HD21 ' SG ' ' A' ' 5' ' ' CYS . 59.3 mt -108.63 120.13 41.55 Favored 'General case' 0 C--N 1.253 -3.606 0 N-CA-C 108.442 -0.947 . . . . 74.409999999999997 108.442 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 24.5 p -116.55 142.46 46.86 Favored 'General case' 0 CA--C 1.48 -1.736 0 N-CA-C 106.713 -1.588 . . . . 61.149999999999999 106.713 172.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.83 145.86 44.96 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 118.687 -1.205 . . . . 72.140000000000001 109.882 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 118.232 -0.89 . . . . 74.420000000000002 110.343 -178.429 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.647 0 N-CA-C 109.687 -0.486 . . . . 74.420000000000002 109.687 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 111.92 11.08 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 109.668 -0.493 . . . . 73.230000000000004 109.668 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.7 m -128.61 167.06 17.71 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 106.666 -1.605 . . . . 62.109999999999999 106.666 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.446 ' HH ' ' HB2' ' A' ' 10' ' ' CYS . 25.6 p90 -160.23 157.55 28.42 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 117.856 0.298 . . . . 70.430000000000007 110.813 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.654 ' SG ' HD23 ' B' ' 129' ' ' LEU . 31.0 m -94.72 100.26 12.21 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.001 -0.74 . . . . 61.049999999999997 109.001 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.809 ' HD3' ' SG ' ' A' ' 30' ' ' CYS . 15.8 ptt180 -91.75 147.07 23.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.056 -0.72 . . . . 74.109999999999999 109.056 -178.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.3 p -90.5 4.54 50.83 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 120.838 0.351 . . . . 71.129999999999995 111.906 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.49 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -169.35 -87.3 0.07 OUTLIER Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.495 -0.859 . . . . 64.439999999999998 110.964 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.531 ' C ' ' HD2' ' A' ' 6' ' ' ARG . 39.7 ptt180 -124.95 174.14 8.18 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.357 -0.609 . . . . 75.349999999999994 109.357 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB2' ' HH ' ' A' ' 4' ' ' TYR . 23.3 p -146.31 169.77 18.13 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.453 -1.314 . . . . 70.510000000000005 107.453 177.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.0 -25.08 64.33 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.738 -0.468 . . . . 71.420000000000002 109.738 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.439 ' O ' HG21 ' A' ' 12' ' ' THR . 9.6 t -86.84 82.75 7.71 Favored 'General case' 0 N--CA 1.418 -2.028 0 N-CA-C 107.362 -1.347 . . . . 62.25 107.362 169.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -60.94 123.76 18.52 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 114.277 1.214 . . . . 73.129999999999995 114.277 -173.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 16' ' ' LEU . 7.4 mm-40 59.49 23.57 12.19 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 113.32 -1.764 . . . . 75.099999999999994 115.428 176.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -83.5 46.3 1.14 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.391 -1.337 . . . . 74.239999999999995 107.391 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD21 HG11 ' A' ' 19' ' ' VAL . 3.8 tt -80.11 122.98 27.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 125.376 1.47 . . . . 72.310000000000002 108.267 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -116.91 -7.24 11.43 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.811 -1.086 . . . . 74.430000000000007 112.159 -175.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.21 164.27 34.7 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 110.967 -0.853 . . . . 74.510000000000005 110.967 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 HD21 ' A' ' 16' ' ' LEU . 5.2 m -143.23 153.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.591 0.71 . . . . 74.129999999999995 111.867 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -153.62 117.71 4.81 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 114.706 -1.134 . . . . 73.219999999999999 109.566 175.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.0 119.37 35.34 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 107.946 -1.131 . . . . 54.5 107.946 178.291 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mt -132.27 126.29 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.191 0 CA-C-N 114.18 -1.373 . . . . 74.030000000000001 108.428 -172.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 54.25 32.53 16.31 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 125.468 1.507 . . . . 53.149999999999999 113.497 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.65 79.13 Favored Glycine 0 C--O 1.239 0.41 0 C-N-CA 121.259 -0.496 . . . . 54.149999999999999 112.892 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -108.83 137.29 46.99 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.482 -0.932 . . . . 75.5 108.482 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.03 116.58 29.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.345 -0.983 . . . . 65.510000000000005 108.345 -176.221 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 83.9 m-85 -96.01 115.05 26.83 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.661 -0.7 . . . . 73.030000000000001 110.113 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 62.5 mtt85 -100.69 141.76 33.11 Favored 'General case' 0 CA--C 1.47 -2.098 0 CA-C-N 115.306 -0.861 . . . . 75.349999999999994 109.385 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.625 HD23 ' SG ' ' B' ' 105' ' ' CYS . 46.5 mt -105.16 113.78 27.58 Favored 'General case' 0 C--N 1.26 -3.32 0 N-CA-C 108.36 -0.978 . . . . 72.409999999999997 108.36 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.809 ' SG ' ' HD3' ' A' ' 6' ' ' ARG . 13.9 p -119.01 125.16 48.72 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.703 -1.221 . . . . 74.239999999999995 107.703 172.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -116.7 152.76 33.63 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.531 -0.914 . . . . 61.140000000000001 108.531 -173.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 . . . . . 0 C--N 1.315 -0.894 0 C-N-CA 119.397 -0.921 . . . . 72.120000000000005 111.664 -174.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.794 0 CA-C-O 120.976 0.417 . . . . 74.109999999999999 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.433 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 94.4 m -128.37 112.69 14.69 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.795 -0.817 . . . . 55.229999999999997 108.795 172.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.11 162.11 18.73 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 106.743 -1.577 . . . . 75.099999999999994 106.743 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -155.25 146.78 23.04 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 120.592 0.234 . . . . 73.409999999999997 110.479 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.625 ' SG ' HD23 ' A' ' 29' ' ' LEU . 31.8 m -84.82 104.15 14.53 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.444 -0.798 . . . . 54.020000000000003 109.665 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.473 HH11 ' HA ' ' B' ' 109' ' ' ARG . 11.1 ptt180 -97.95 144.23 27.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.285 -0.416 . . . . 73.329999999999998 110.533 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -90.05 0.74 56.97 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.408 0.623 . . . . 61.340000000000003 110.644 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -160.31 -108.51 0.24 Allowed Glycine 0 N--CA 1.417 -2.63 0 N-CA-C 109.703 -1.359 . . . . 73.340000000000003 109.703 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.473 ' HA ' HH11 ' B' ' 106' ' ' ARG . 36.1 ptt180 -116.61 178.11 4.45 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.446 0.641 . . . . 74.340000000000003 111.725 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.297 -1.686 0 N-CA-C 106.225 -1.769 . . . . 62.25 106.225 177.551 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.425 -1.677 0 N-CA-C 112.926 0.713 . . . . 75.409999999999997 112.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.554 HD21 HG12 ' B' ' 119' ' ' VAL . 4.0 tt -100.89 113.98 27.43 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 105.405 -2.072 . . . . 61.210000000000001 105.405 170.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 39.4 p -107.79 -7.41 16.33 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.827 -0.624 . . . . 73.25 112.646 -171.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.75 163.52 33.23 Favored Glycine 0 N--CA 1.425 -2.094 0 C-N-CA 120.535 -0.84 . . . . 64.5 111.416 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.554 HG12 HD21 ' B' ' 116' ' ' LEU . 4.5 m -142.12 147.09 21.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 C-N-CA 123.332 0.653 . . . . 72.5 110.866 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.7 p -145.13 117.89 8.69 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-N 114.8 -1.091 . . . . 73.319999999999993 109.275 174.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -97.14 108.32 21.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.872 -1.159 . . . . 74.400000000000006 107.872 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.461 HD12 ' CE2' ' A' ' 27' ' ' TYR . 44.1 mt -123.31 131.74 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 CA-C-N 114.5 -1.227 . . . . 74.099999999999994 108.83 -172.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.402 ' HG ' ' C ' ' B' ' 122' ' ' ILE . 59.6 p 53.44 32.26 13.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.616 1.166 . . . . 62.409999999999997 111.706 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.07 -17.85 44.12 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.624 -0.716 . . . . 70.230000000000004 113.116 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -93.7 140.61 29.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 108.982 -0.747 . . . . 64.349999999999994 108.982 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.74 119.21 32.43 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 108.474 -0.935 . . . . 75.109999999999999 108.474 -176.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.407 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 94.4 m-85 -101.68 119.74 39.25 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.368 -0.833 . . . . 75.030000000000001 109.303 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -101.58 154.56 18.75 Favored 'General case' 0 CA--C 1.474 -1.957 0 CA-C-N 116.061 -0.518 . . . . 75.230000000000004 109.681 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.654 HD23 ' SG ' ' A' ' 5' ' ' CYS . 51.9 mt -118.08 125.47 50.37 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 115.761 -0.654 . . . . 75.120000000000005 109.35 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.0 p -123.95 141.16 52.28 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.206 -1.405 . . . . 71.549999999999997 107.206 169.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 6.6 t -140.01 150.98 45.09 Favored 'General case' 0 N--CA 1.423 -1.776 0 C-N-CA 118.369 -1.332 . . . . 75.200000000000003 110.597 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.433 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 26.2 ptt180 . . . . . 0 N--CA 1.433 -1.31 0 CA-C-O 118.547 -0.74 . . . . 74.299999999999997 109.833 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 109.926 -0.398 . . . . 63.509999999999998 109.926 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m -125.25 111.96 15.84 Favored 'General case' 0 N--CA 1.423 -1.803 0 N-CA-C 107.911 -1.144 . . . . 72.329999999999998 107.911 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.56 160.79 27.58 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 105.815 -1.92 . . . . 73.340000000000003 105.815 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.477 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 31.9 p90 -153.92 154.85 34.57 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 118.406 0.548 . . . . 72.319999999999993 112.213 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.697 ' SG ' HD21 ' B' ' 129' ' ' LEU . 21.4 m -91.98 110.52 21.88 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.955 -1.021 . . . . 35.799999999999997 109.227 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -121.21 149.95 42.07 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.358 -0.978 . . . . 73.349999999999994 108.358 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.494 HG21 ' NE ' ' A' ' 25' ' ' ARG . 41.4 p -90.34 11.03 22.63 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 121.269 0.557 . . . . 73.219999999999999 112.374 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.503 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -159.4 -115.52 0.41 Allowed Glycine 0 N--CA 1.421 -2.362 0 N-CA-C 110.48 -1.048 . . . . 75.439999999999998 110.48 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 13' ' ' ARG . 36.0 ptt180 -105.66 171.52 7.29 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 109.797 -0.446 . . . . 75.340000000000003 109.797 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 30.4 p -141.16 164.25 30.76 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 120.723 -0.391 . . . . 73.430000000000007 110.39 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.24 82.8 1.36 Allowed 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.433 0.635 . . . . 62.030000000000001 112.218 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 t 166.65 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 126.062 1.745 . . . . 72.109999999999999 107.672 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 9' ' ' ARG . 55.9 mmt-85 60.38 -173.97 0.12 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.911 1.284 . . . . 74.25 111.146 -178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 67.94 -43.04 0.47 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.076 1.88 . . . . 65.209999999999994 116.076 170.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -91.97 90.4 7.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.192 0.52 . . . . 55.210000000000001 111.521 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.51 HD23 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -100.2 109.53 21.77 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 104.616 -2.365 . . . . 75.340000000000003 104.616 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 p -103.98 -9.53 18.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 115.271 -0.877 . . . . 64.519999999999996 112.8 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.01 164.16 34.05 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 110.999 -0.841 . . . . 65.420000000000002 110.999 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.51 HG13 HD23 ' A' ' 16' ' ' LEU . 5.9 m -142.01 145.93 23.4 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.259 0.552 . . . . 74.239999999999995 111.22 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.3 p -144.96 119.48 9.7 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.852 -1.067 . . . . 74.310000000000002 109.47 175.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.25 122.55 40.39 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.709 -1.219 . . . . 63.310000000000002 107.709 178.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.497 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -133.72 128.67 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 CA-C-N 114.338 -1.301 . . . . 75.340000000000003 108.003 -172.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.405 ' HG ' ' C ' ' A' ' 22' ' ' ILE . 75.9 p 51.68 32.05 8.76 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 125.697 1.599 . . . . 73.510000000000005 113.428 -178.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.61 72.25 Favored Glycine 0 C--O 1.241 0.562 0 C-N-CA 120.728 -0.748 . . . . 71.439999999999998 112.574 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' NE ' HG21 ' A' ' 7' ' ' THR . 61.4 ttt180 -127.69 137.92 52.64 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 106.97 -1.492 . . . . 70.109999999999999 106.97 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.33 120.51 34.68 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.989 -0.684 . . . . 72.040000000000006 109.866 -173.813 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CZ ' HD12 ' B' ' 122' ' ' ILE . 70.4 m-85 -100.91 116.86 33.77 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.771 -0.65 . . . . 74.109999999999999 110.236 174.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 75.3 mtt85 -96.25 152.96 18.09 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.821 -0.807 . . . . 73.239999999999995 108.821 176.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.67 HD23 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.09 133.05 55.8 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.39 -0.967 . . . . 70.420000000000002 108.39 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 6' ' ' ARG . 28.6 p -133.11 142.84 48.91 Favored 'General case' 0 CA--C 1.479 -1.776 0 N-CA-C 106.182 -1.785 . . . . 64.420000000000002 106.182 173.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -133.85 140.06 46.63 Favored 'General case' 0 N--CA 1.414 -2.259 0 C-N-CA 117.948 -1.501 . . . . 74.519999999999996 111.832 -174.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.256 1.408 0 CA-C-N 114.817 -1.083 . . . . 74.150000000000006 109.561 -178.348 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.422 0 CA-C-O 120.74 0.305 . . . . 63.140000000000001 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.4 m -114.46 111.18 21.01 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 108.279 -1.008 . . . . 74.530000000000001 108.279 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 44.9 m -122.02 158.09 29.92 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.212 -1.403 . . . . 35.799999999999997 107.212 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 45.3 p90 -154.82 146.87 23.63 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.178 0.513 . . . . 72.010000000000005 112.139 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' CYS . . . . . 0.67 ' SG ' HD23 ' A' ' 29' ' ' LEU . 22.8 m -86.13 123.94 31.99 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 114.597 -1.183 . . . . 64.439999999999998 108.332 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.488 ' HD3' ' N ' ' B' ' 106' ' ' ARG . 0.0 OUTLIER -132.98 151.05 52.11 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.392 -0.596 . . . . 75.420000000000002 109.392 178.187 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 38.9 p -85.01 0.12 52.52 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 112.456 0.539 . . . . 74.450000000000003 112.456 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . 0.412 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -154.55 -121.4 0.78 Allowed Glycine 0 N--CA 1.425 -2.096 0 N-CA-C 110.236 -1.145 . . . . 64.040000000000006 110.236 -179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -98.6 178.37 5.02 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.701 -0.852 . . . . 74.049999999999997 108.701 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.402 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 28.1 p . . . . . 0 C--N 1.304 -1.395 0 N-CA-C 109.361 -0.607 . . . . 71.329999999999998 109.361 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.419 -1.981 0 N-CA-C 113.678 0.992 . . . . 73.319999999999993 113.678 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 tt -90.28 112.01 23.4 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 103.323 -2.843 . . . . 70.120000000000005 103.323 166.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 28.9 p -105.24 -9.39 17.71 Favored 'General case' 0 C--N 1.27 -2.864 0 N-CA-C 113.715 1.006 . . . . 72.430000000000007 113.715 -167.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.19 164.34 34.2 Favored Glycine 0 N--CA 1.419 -2.477 0 C-N-CA 120.334 -0.936 . . . . 53.039999999999999 111.066 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.98 144.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 123.157 0.583 . . . . 72.340000000000003 110.29 175.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.5 p -142.99 117.17 9.52 Favored 'General case' 0 C--N 1.278 -2.53 0 CA-C-N 115.253 -0.885 . . . . 43.530000000000001 109.224 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.51 121.86 39.91 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 107.498 -1.297 . . . . 74.120000000000005 107.498 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' ILE . . . . . 0.417 HD12 ' CZ ' ' A' ' 27' ' ' TYR . 28.4 mt -134.74 131.72 53.76 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 114.385 -1.279 . . . . 72.519999999999996 107.886 -172.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.6 p 53.47 31.27 11.92 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.176 1.39 . . . . 73.200000000000003 113.287 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.48 71.64 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.079 -0.581 . . . . 35.799999999999997 111.652 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ARG . . . . . 0.406 ' HE ' HG23 ' B' ' 107' ' ' THR . 77.5 ttt180 -131.57 136.16 47.58 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.65 -1.611 . . . . 75.430000000000007 106.65 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -94.16 128.28 40.49 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.207 -0.997 . . . . 75.340000000000003 109.64 -175.101 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . 0.497 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.2 m-85 -111.9 106.69 15.47 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.448 -0.796 . . . . 72.549999999999997 110.237 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 54.1 mtt85 -86.95 153.77 21.32 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 108.656 -0.868 . . . . 75.230000000000004 108.656 175.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.697 HD21 ' SG ' ' A' ' 5' ' ' CYS . 70.2 mt -115.94 131.73 56.85 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 109.034 -0.728 . . . . 75.420000000000002 109.034 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 28.2 p -133.38 143.47 48.96 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 106.177 -1.786 . . . . 75.120000000000005 106.177 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.1 t -139.13 152.29 47.35 Favored 'General case' 0 N--CA 1.413 -2.303 0 C-N-CA 118.745 -1.182 . . . . 62.329999999999998 110.669 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.421 -1.883 0 CA-C-O 118.066 -0.969 . . . . 72.040000000000006 108.894 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 109.008 -0.738 . . . . 61.350000000000001 109.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.416 ' HB ' ' CG ' ' A' ' 32' ' ' ARG . 41.1 m -118.52 111.98 19.31 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 108.607 -0.886 . . . . 74.129999999999995 108.607 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 m -120.11 163.66 17.35 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.616 -1.253 . . . . 74.120000000000005 107.616 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.96 146.76 22.07 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.726 0.298 . . . . 73.040000000000006 110.95 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.652 ' SG ' HD21 ' B' ' 129' ' ' LEU . 22.1 m -91.37 106.97 18.88 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.397 -0.819 . . . . 71.439999999999998 109.644 -174.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.554 ' NH1' ' HA ' ' A' ' 9' ' ' ARG 0.285 3.0 ppt_? -112.81 143.47 44.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 114.004 1.112 . . . . 75.040000000000006 114.004 -179.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 35.7 p -84.73 -7.28 59.27 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.222 -0.899 . . . . 63.5 112.725 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.34 -86.67 0.07 OUTLIER Glycine 0 CA--C 1.474 -2.53 0 C-N-CA 120.165 -1.016 . . . . 51.43 111.055 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.554 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 29.2 ptt180 -136.46 174.63 10.41 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 122.634 0.374 . . . . 73.420000000000002 110.093 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 8.3 p -142.87 165.19 28.05 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.718 -0.475 . . . . 73.019999999999996 109.718 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.43 82.82 1.45 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.407 0.623 . . . . 63.240000000000002 110.909 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 164.76 -20.55 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 126.099 1.76 . . . . 72.430000000000007 107.218 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 60.32 -96.41 0.06 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.952 1.464 . . . . 75.409999999999997 114.952 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.259 42.1 mt-10 -84.18 77.28 9.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.917 1.342 . . . . 74.400000000000006 113.325 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -139.68 25.32 2.38 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.003 -2.221 . . . . 74.340000000000003 105.003 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.506 HD23 HG12 ' A' ' 19' ' ' VAL . 3.9 tt -78.07 113.36 15.93 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 106.607 -1.627 . . . . 73.409999999999997 106.607 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -113.4 -4.39 13.63 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.193 -1.367 . . . . 70.340000000000003 112.184 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.55 162.3 31.59 Favored Glycine 0 N--CA 1.428 -1.862 0 N-CA-C 111.121 -0.792 . . . . 75.430000000000007 111.121 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 16' ' ' LEU . 15.9 m -140.37 150.97 21.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.349 0.595 . . . . 73.319999999999993 112.051 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.9 p -152.44 120.9 6.37 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.912 -1.04 . . . . 64.430000000000007 109.206 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.61 120.46 38.04 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.132 -1.027 . . . . 73.140000000000001 108.373 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -136.75 132.17 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.996 0 CA-C-N 114.153 -1.385 . . . . 72.120000000000005 107.61 -173.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 p 53.04 31.99 12.13 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 125.15 1.38 . . . . 75.430000000000007 113.511 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.21 -1.63 80.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.629 -0.796 . . . . 41.299999999999997 112.043 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -111.16 139.85 46.2 Favored 'General case' 0 CA--C 1.457 -2.632 0 CA-C-O 121.304 0.573 . . . . 72.420000000000002 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.57 112.69 24.45 Favored 'General case' 0 C--N 1.263 -3.172 0 N-CA-C 106.909 -1.515 . . . . 61.350000000000001 106.909 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' B' ' 122' ' ' ILE . 69.1 m-85 -93.87 102.1 14.21 Favored 'General case' 0 C--N 1.273 -2.758 0 CA-C-O 122.011 0.91 . . . . 73.219999999999999 110.796 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.0 mtt85 -91.06 138.18 31.8 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.081 -1.418 . . . . 73.319999999999993 108.201 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD21 ' SG ' ' B' ' 105' ' ' CYS . 52.4 mt -104.9 127.61 52.79 Favored 'General case' 0 C--N 1.262 -3.221 0 CA-C-N 115.617 -0.72 . . . . 71.120000000000005 109.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB3' HH21 ' A' ' 6' ' ' ARG . 6.9 p -129.73 142.65 50.67 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.582 -1.266 . . . . 71.239999999999995 107.582 171.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -137.69 164.06 29.76 Favored 'General case' 0 N--CA 1.418 -2.042 0 C-N-CA 118.794 -1.162 . . . . 72.439999999999998 111.002 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' CG ' ' HB ' ' A' ' 2' ' ' THR . 27.3 ptt180 . . . . . 0 C--O 1.257 1.469 0 N-CA-C 108.944 -0.762 . . . . 72.519999999999996 108.944 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.09 -0.337 . . . . 62.240000000000002 110.09 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.43 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 62.1 m -128.38 113.01 15.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.775 -0.824 . . . . 61.5 108.775 174.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 23.7 m -124.62 166.83 15.42 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 106.15 -1.796 . . . . 74.030000000000001 106.15 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -160.1 156.31 26.61 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 117.953 0.342 . . . . 75.420000000000002 111.105 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.557 ' SG ' HD21 ' A' ' 29' ' ' LEU . 24.4 m -90.44 116.0 28.03 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.589 -0.732 . . . . 60.229999999999997 109.618 -175.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.516 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.5 ptt180 -109.79 143.54 39.49 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 116.188 -0.46 . . . . 73.040000000000006 110.656 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 35.8 p -87.29 -3.84 59.05 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.423 0.63 . . . . 75.450000000000003 111.31 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.516 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -166.79 -103.9 0.17 Allowed Glycine 0 N--CA 1.419 -2.487 0 N-CA-C 108.748 -1.741 . . . . 62.030000000000001 108.748 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.433 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.3 ptt180 -106.29 166.87 10.22 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.345 -0.542 . . . . 75.150000000000006 110.998 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.7 p -139.01 166.63 24.0 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 107.598 -1.26 . . . . 74.450000000000003 107.598 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -72.82 85.44 1.24 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.503 0.668 . . . . 63.119999999999997 111.78 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 14.4 t 166.46 -28.99 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 125.325 1.45 . . . . 72.540000000000006 107.451 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 61.85 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.359 0.991 0 N-CA-C 114.512 1.301 . . . . 74.409999999999997 114.512 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.11 86.76 4.25 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 121.569 0.699 . . . . 75.0 112.63 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.6 t -175.87 66.8 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 113.931 -1.486 . . . . 63.030000000000001 107.411 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.498 HD22 HG12 ' B' ' 119' ' ' VAL . 4.8 tt -99.76 109.29 21.74 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.53 -1.656 . . . . 75.230000000000004 106.53 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.0 p -107.22 -9.53 16.08 Favored 'General case' 0 C--N 1.269 -2.91 0 CA-C-N 114.163 -1.381 . . . . 64.549999999999997 112.39 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.34 163.93 34.13 Favored Glycine 0 N--CA 1.42 -2.393 0 C-N-CA 120.404 -0.903 . . . . 36.710000000000001 111.059 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.498 HG12 HD22 ' B' ' 116' ' ' LEU . 4.6 m -143.09 143.1 25.34 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 123.367 0.667 . . . . 75.030000000000001 111.259 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.2 p -144.37 122.02 11.83 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 115.031 -0.986 . . . . 74.230000000000004 110.0 175.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -97.17 114.99 26.75 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.272 -1.381 . . . . 72.409999999999997 107.272 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.471 HD11 ' CE2' ' A' ' 27' ' ' TYR . 22.0 mt -135.62 140.47 44.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 107.387 -1.338 . . . . 74.150000000000006 107.387 -174.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.9 p 53.76 31.82 13.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.719 1.208 . . . . 70.109999999999999 111.744 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.06 8.29 78.33 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.477 -0.783 . . . . 61.140000000000001 113.462 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -116.21 146.22 42.5 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 107.735 -1.209 . . . . 74.5 107.735 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.56 123.22 37.86 Favored 'General case' 0 N--CA 1.432 -1.339 0 C-N-CA 118.895 -1.122 . . . . 72.099999999999994 109.48 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 97.6 m-85 -103.97 112.94 26.14 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 115.493 -0.776 . . . . 75.349999999999994 109.559 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.7 mtt85 -93.27 153.27 18.68 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 108.953 -0.758 . . . . 74.25 108.953 176.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.652 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.5 mt -112.24 125.35 54.06 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 108.354 -0.98 . . . . 74.230000000000004 108.354 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.2 134.55 54.71 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.009 -1.108 . . . . 71.439999999999998 108.009 172.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.2 t -133.51 159.56 40.04 Favored 'General case' 0 N--CA 1.406 -2.632 0 C-N-CA 119.979 -0.689 . . . . 64.230000000000004 109.271 -173.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.43 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 25.8 ptt180 . . . . . 0 N--CA 1.424 -1.764 0 O-C-N 123.527 0.517 . . . . 71.109999999999999 110.726 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 109.47 -0.567 . . . . 72.040000000000006 109.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m -122.74 112.14 17.57 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.298 -1.001 . . . . 75.340000000000003 108.298 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.1 m -122.36 165.26 16.56 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.924 -1.51 . . . . 75.219999999999999 106.924 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -158.4 151.4 22.62 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 120.547 0.213 . . . . 72.510000000000005 110.904 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.598 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.9 m -89.21 105.1 17.57 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 123.939 0.775 . . . . 64.540000000000006 109.703 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.1 ptt180 -99.81 154.2 18.52 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.497 . . . . 74.140000000000001 110.569 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.0 p -97.57 -7.19 31.81 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.368 0.604 . . . . 73.239999999999995 111.038 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.515 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -155.23 -109.56 0.33 Allowed Glycine 0 N--CA 1.423 -2.223 0 N-CA-C 109.708 -1.357 . . . . 75.150000000000006 109.708 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.498 ' HA ' HH11 ' A' ' 6' ' ' ARG . 14.9 ptp180 -107.42 170.87 7.71 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 117.027 0.413 . . . . 62.32 110.779 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 26.1 p -146.77 166.33 26.96 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 122.216 -0.302 . . . . 74.310000000000002 110.216 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.17 90.11 1.55 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.568 0.699 . . . . 62.210000000000001 111.574 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t 167.73 -39.03 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 126.563 1.945 . . . . 74.450000000000003 106.255 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 59.84 136.04 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 N-CA-C 116.674 2.102 . . . . 64.230000000000004 116.674 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 69.78 -15.04 0.33 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 115.434 1.642 . . . . 74.450000000000003 115.434 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.4 t -77.25 76.36 3.8 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 121.93 0.872 . . . . 72.120000000000005 109.175 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD23 HG12 ' A' ' 19' ' ' VAL . 4.4 tt -101.2 116.96 34.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 105.619 -1.993 . . . . 74.230000000000004 105.619 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 p -108.53 -15.8 14.35 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-N 115.474 -0.784 . . . . 64.239999999999995 112.757 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.23 164.39 34.87 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 110.471 -1.052 . . . . 72.510000000000005 110.471 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG12 HD23 ' A' ' 16' ' ' LEU . 12.5 m -139.98 152.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-O 121.603 0.716 . . . . 75.030000000000001 111.938 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.0 p -148.06 120.03 8.21 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 114.574 -1.194 . . . . 75.510000000000005 109.302 174.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB2' HD22 ' A' ' 26' ' ' LEU . 2.1 tm-20 -97.41 120.64 38.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.126 -1.064 . . . . 75.510000000000005 108.126 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.484 HD12 ' CE2' ' B' ' 127' ' ' TYR . 24.4 mt -136.72 133.31 48.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-N 114.652 -1.158 . . . . 74.140000000000001 107.966 -172.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 53.53 31.07 11.69 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.45 1.5 . . . . 73.25 113.128 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.64 -0.77 88.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.025 -0.607 . . . . 72.010000000000005 112.369 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -111.75 141.31 45.53 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 108.466 -0.939 . . . . 73.25 108.466 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.94 121.79 35.77 Favored 'General case' 0 N--CA 1.427 -1.622 0 N-CA-C 108.53 -0.915 . . . . 71.200000000000003 108.53 -177.476 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 79.5 m-85 -101.6 110.16 22.1 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 115.538 -0.756 . . . . 75.340000000000003 110.128 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.8 mtt85 -92.77 151.19 20.16 Favored 'General case' 0 CA--C 1.474 -1.965 0 CA-C-N 115.143 -0.935 . . . . 73.430000000000007 109.183 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.589 HD23 ' SG ' ' B' ' 105' ' ' CYS . 58.7 mt -112.55 126.41 55.32 Favored 'General case' 0 N--CA 1.394 -3.241 0 N-CA-C 108.868 -0.789 . . . . 72.420000000000002 108.868 178.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 p -126.52 142.28 51.59 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 106.966 -1.494 . . . . 54.43 106.966 171.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 t -138.65 155.99 47.81 Favored 'General case' 0 N--CA 1.414 -2.26 0 C-N-CA 118.396 -1.322 . . . . 62.509999999999998 110.993 -172.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.464 0 CA-C-N 115.368 -0.833 . . . . 75.239999999999995 109.45 -178.714 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 110.507 -0.183 . . . . 72.310000000000002 110.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.448 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 55.7 m -115.91 112.6 22.12 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.5 -1.296 . . . . 64.25 107.5 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 m -123.38 167.44 13.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.783 -1.192 . . . . 62.350000000000001 107.783 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -162.67 150.61 13.98 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 120.749 0.309 . . . . 74.519999999999996 111.14 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.589 ' SG ' HD23 ' A' ' 29' ' ' LEU . 27.7 m -85.84 130.0 34.67 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.382 -0.826 . . . . 60.020000000000003 108.893 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.542 ' NH2' ' HB3' ' B' ' 130' ' ' CYS . 1.1 ppt_? -140.61 138.25 34.26 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-O 121.732 0.777 . . . . 71.140000000000001 112.78 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 46.5 p -80.29 -11.75 59.68 Favored 'General case' 0 C--N 1.278 -2.5 0 CA-C-N 114.884 -1.053 . . . . 64.340000000000003 112.989 -172.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -146.01 -113.32 0.81 Allowed Glycine 0 CA--C 1.464 -3.096 0 N-CA-C 108.92 -1.672 . . . . 71.519999999999996 108.92 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -102.61 178.68 4.51 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 108.66 -0.867 . . . . 64.129999999999995 108.66 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.516 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 26.9 p -144.43 162.14 37.25 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.81 -0.441 . . . . 71.019999999999996 109.81 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.18 84.35 1.35 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.294 0.569 . . . . 70.030000000000001 111.385 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 10.2 t 166.44 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 126.064 1.745 . . . . 71.349999999999994 108.291 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 53.49 -167.48 0.06 Allowed 'General case' 0 C--N 1.37 1.457 0 C-N-CA 123.204 0.602 . . . . 74.340000000000003 112.265 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 70.69 -69.87 0.17 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.29 1.036 . . . . 74.329999999999998 113.382 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 45.8 t -75.14 87.15 2.42 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 113.758 1.022 . . . . 72.420000000000002 113.758 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.432 HD22 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -100.76 106.74 18.18 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 103.947 -2.612 . . . . 74.319999999999993 103.947 166.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.6 p -109.99 -5.71 15.37 Favored 'General case' 0 C--N 1.262 -3.222 0 CA-C-N 114.556 -1.202 . . . . 62.439999999999998 112.624 -169.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.22 163.78 33.32 Favored Glycine 0 N--CA 1.42 -2.389 0 N-CA-C 110.847 -0.901 . . . . 36.009999999999998 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.432 HG13 HD22 ' B' ' 116' ' ' LEU . 6.3 m -141.3 147.13 22.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 123.466 0.706 . . . . 75.319999999999993 110.131 175.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.8 p -149.47 117.81 6.46 Favored 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 115.227 -0.897 . . . . 70.129999999999995 109.046 174.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.485 ' HB2' HD21 ' B' ' 126' ' ' LEU . 0.4 OUTLIER -97.22 120.91 38.46 Favored 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 107.741 -1.207 . . . . 55.340000000000003 107.741 178.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.407 HD11 ' CE2' ' A' ' 27' ' ' TYR . 33.0 mt -133.49 128.17 54.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 114.485 -1.234 . . . . 74.040000000000006 108.931 -171.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.2 p 54.02 32.12 14.91 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.201 1.4 . . . . 54.310000000000002 113.301 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.23 6.18 71.7 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.803 -0.713 . . . . 50.109999999999999 112.742 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.412 ' HD3' HG22 ' B' ' 107' ' ' THR . 38.7 ttm180 -123.01 141.48 51.91 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 108.262 -1.014 . . . . 75.5 108.262 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.1 OUTLIER -93.58 125.41 38.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.366 -0.976 . . . . 72.010000000000005 108.366 -175.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.484 ' CE2' HD12 ' A' ' 22' ' ' ILE . 82.5 m-85 -107.84 102.38 11.59 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 121.522 0.677 . . . . 73.340000000000003 110.642 176.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.468 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 64.3 mtt85 -84.41 150.64 25.19 Favored 'General case' 0 CA--C 1.482 -1.663 0 N-CA-C 108.354 -0.98 . . . . 74.040000000000006 108.354 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.598 HD21 ' SG ' ' A' ' 5' ' ' CYS . 67.7 mt -110.77 131.46 55.03 Favored 'General case' 0 C--N 1.266 -3.026 0 N-CA-C 109.204 -0.665 . . . . 71.099999999999994 109.204 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.542 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 26.4 p -129.22 142.78 50.76 Favored 'General case' 0 CA--C 1.474 -1.954 0 N-CA-C 107.993 -1.114 . . . . 74.230000000000004 107.993 173.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.7 t -138.72 163.78 31.27 Favored 'General case' 0 N--CA 1.403 -2.786 0 C-N-CA 119.149 -1.02 . . . . 74.400000000000006 110.196 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.448 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 9.3 ptm180 . . . . . 0 C--N 1.294 -1.83 0 C-N-CA 124.076 0.95 . . . . 72.140000000000001 109.864 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.523 ' HB2' ' OG ' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 108.677 -0.86 . . . . 74.219999999999999 108.677 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.425 ' HB ' ' NE ' ' A' ' 32' ' ' ARG . 33.6 m -122.49 111.9 17.38 Favored 'General case' 0 N--CA 1.425 -1.694 0 C-N-CA 119.777 -0.769 . . . . 72.219999999999999 109.068 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.65 166.6 15.84 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 106.896 -1.52 . . . . 74.129999999999995 106.896 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -161.25 149.12 15.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 120.619 0.247 . . . . 73.120000000000005 110.391 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' B' ' 129' ' ' LEU . 34.8 m -88.86 111.51 22.15 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 115.673 -0.694 . . . . 73.239999999999995 110.424 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.548 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.9 ptt180 -102.99 148.71 25.34 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.926 -0.579 . . . . 75.040000000000006 110.337 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -90.78 -2.4 57.79 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.432 -0.804 . . . . 75.219999999999999 110.406 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.548 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -169.57 -103.73 0.17 Allowed Glycine 0 N--CA 1.418 -2.525 0 N-CA-C 108.817 -1.713 . . . . 61.530000000000001 108.817 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -101.0 168.9 9.31 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.605 -0.438 . . . . 74.510000000000005 110.288 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.17 163.75 29.65 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.795 -1.558 . . . . 75.040000000000006 106.795 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.46 73.16 1.9 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.462 0.648 . . . . 74.420000000000002 112.744 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t 173.16 -50.41 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 125.629 1.572 . . . . 62.020000000000003 108.566 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 56.17 -167.76 0.1 Allowed 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.638 0.775 . . . . 72.439999999999998 111.335 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 73.18 -51.57 0.71 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.673 1.189 . . . . 75.340000000000003 111.067 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.3 t -77.67 75.13 4.22 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-O 121.78 0.8 . . . . 53.0 109.819 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 HG12 ' A' ' 19' ' ' VAL . 4.9 tt -100.68 107.64 19.31 Favored 'General case' 0 N--CA 1.427 -1.601 0 N-CA-C 104.914 -2.254 . . . . 72.239999999999995 104.914 171.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 p -106.81 -9.94 16.22 Favored 'General case' 0 C--N 1.263 -3.176 0 CA-C-N 114.661 -1.154 . . . . 72.519999999999996 112.731 -169.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.86 164.12 34.08 Favored Glycine 0 N--CA 1.416 -2.643 0 N-CA-C 110.693 -0.963 . . . . 72.329999999999998 110.693 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG12 HD22 ' A' ' 16' ' ' LEU . 15.2 m -141.2 153.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 121.708 0.766 . . . . 75.299999999999997 111.213 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 3.7 p -149.58 117.7 6.37 Favored 'General case' 0 C--N 1.277 -2.543 0 CA-C-N 114.615 -1.175 . . . . 64.310000000000002 109.608 173.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.5 119.6 36.35 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.884 -1.154 . . . . 73.510000000000005 107.884 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.513 HD12 ' CE2' ' B' ' 127' ' ' TYR . 28.2 mt -129.33 125.2 61.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-N 114.272 -1.331 . . . . 64.230000000000004 108.41 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.9 p 54.38 31.59 14.82 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 125.736 1.614 . . . . 72.420000000000002 112.913 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 22.53 64.11 Favored Glycine 0 CA--C 1.508 -0.381 0 N-CA-C 111.888 -0.485 . . . . 73.439999999999998 111.888 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -129.78 132.27 46.48 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.264 -1.754 . . . . 64.430000000000007 106.264 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.87 128.16 40.0 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.336 -0.946 . . . . 72.540000000000006 109.346 -174.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 75.4 m-85 -110.47 115.31 29.41 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.226 -0.897 . . . . 75.109999999999999 109.978 174.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 69.8 mtt85 -96.93 152.74 18.41 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-N 115.454 -0.794 . . . . 74.420000000000002 109.126 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.627 HD22 ' SG ' ' B' ' 105' ' ' CYS . 56.3 mt -113.04 123.54 50.54 Favored 'General case' 0 C--N 1.266 -3.056 0 N-CA-C 108.617 -0.883 . . . . 74.310000000000002 108.617 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 p -122.17 131.28 53.87 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.617 -1.253 . . . . 54.530000000000001 107.617 171.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.3 t -135.61 149.63 49.42 Favored 'General case' 0 N--CA 1.422 -1.862 0 C-N-CA 120.075 -0.65 . . . . 52.119999999999997 109.315 -172.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.425 ' NE ' ' HB ' ' A' ' 2' ' ' THR . 41.7 ptt180 . . . . . 0 C--N 1.312 -1.058 0 C-N-CA 120.737 -0.385 . . . . 74.230000000000004 110.451 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.096 -0.335 . . . . 62.399999999999999 110.096 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.477 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 91.7 m -118.3 112.18 19.73 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.399 -0.963 . . . . 71.430000000000007 108.399 173.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 58.6 m -117.58 159.65 22.54 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.723 -1.214 . . . . 74.219999999999999 107.723 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -154.04 144.07 21.96 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.782 0.325 . . . . 73.420000000000002 110.785 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.627 ' SG ' HD22 ' A' ' 29' ' ' LEU . 23.2 m -87.03 114.69 23.85 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.2 -0.909 . . . . 64.319999999999993 109.201 -176.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' B' ' 109' ' ' ARG 0.317 4.0 ppt_? -120.56 134.16 55.31 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 113.907 1.077 . . . . 74.439999999999998 113.907 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 23.0 p -80.49 -3.01 48.37 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.332 -1.304 . . . . 74.239999999999995 112.823 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 -110.23 0.59 Allowed Glycine 0 CA--C 1.458 -3.504 0 N-CA-C 108.253 -1.939 . . . . 61.240000000000002 108.253 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.533 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.9 ptt180 -115.5 177.86 4.51 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.09 0.471 . . . . 74.209999999999994 110.216 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.527 ' C ' ' H ' ' B' ' 112' ' ' THR . 9.5 p -139.04 169.51 17.66 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 104.928 -2.249 . . . . 74.519999999999996 104.928 172.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.66 27.64 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.001 0.819 . . . . 64.430000000000007 111.846 -175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.527 ' H ' ' C ' ' B' ' 110' ' ' CYS . 9.8 t -166.21 80.48 0.27 Allowed 'General case' 0 N--CA 1.413 -2.286 0 C-N-CA 124.945 1.298 . . . . 74.540000000000006 108.497 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -70.47 -29.61 66.2 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 113.696 0.999 . . . . 73.530000000000001 113.696 -175.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.46 -9.26 56.04 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.391 0.615 . . . . 63.329999999999998 110.446 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 38.7 t -88.3 16.77 5.86 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.84 -0.618 . . . . 75.409999999999997 110.217 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.422 HD22 HG12 ' B' ' 119' ' ' VAL . 3.3 tt -76.28 115.49 16.05 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.906 -1.887 . . . . 64.310000000000002 105.906 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.523 ' OG ' ' HB2' ' A' ' 1' ' ' ALA . 17.8 m -115.04 -8.97 12.42 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.558 -1.656 . . . . 75.239999999999995 111.4 -171.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.67 164.44 34.67 Favored Glycine 0 N--CA 1.427 -1.966 0 C-N-CA 120.541 -0.838 . . . . 62.5 111.373 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.422 HG12 HD22 ' B' ' 116' ' ' LEU . 6.7 m -141.11 149.73 20.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 123.467 0.707 . . . . 71.019999999999996 110.956 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 8.3 p -149.02 118.52 6.93 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 114.864 -1.062 . . . . 72.409999999999997 109.372 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.455 ' HB2' HD23 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.57 118.74 34.76 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 107.926 -1.139 . . . . 72.329999999999998 107.926 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.32 126.98 66.78 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 114.258 -1.337 . . . . 74.450000000000003 108.756 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 64.5 p 52.15 31.66 9.37 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 125.659 1.584 . . . . 73.299999999999997 113.292 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.87 18.06 64.2 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.655 -0.783 . . . . 42.299999999999997 112.288 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -129.27 135.31 48.61 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.486 -1.301 . . . . 74.209999999999994 107.486 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.79 122.73 36.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.09 -0.644 . . . . 74.329999999999998 109.93 -173.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.513 ' CE2' HD12 ' A' ' 22' ' ' ILE . 70.4 m-85 -106.07 110.65 22.97 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.515 -0.766 . . . . 73.430000000000007 110.552 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.458 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.2 mtt85 -95.79 139.05 32.57 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.752 -0.658 . . . . 72.209999999999994 109.349 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.679 HD23 ' SG ' ' A' ' 5' ' ' CYS . 50.3 mt -105.75 114.13 28.1 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-N 115.855 -0.611 . . . . 74.340000000000003 110.259 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' B' ' 115' ' ' SER . 4.9 p -112.38 141.12 46.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.355 -0.98 . . . . 72.549999999999997 108.355 171.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.7 t -145.06 142.33 29.63 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 119.02 -1.072 . . . . 62.310000000000002 111.796 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.477 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 17.2 ptm180 . . . . . 0 C--N 1.304 -1.399 0 CA-C-N 115.357 -0.838 . . . . 75.209999999999994 109.928 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.79 0 CA-C-O 120.834 0.35 . . . . 63.030000000000001 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 26.1 m -128.98 112.21 13.81 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.602 -1.629 . . . . 61.130000000000003 106.602 172.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.0 m -123.29 160.03 27.54 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.288 -1.745 . . . . 73.310000000000002 106.288 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 29.2 p90 -154.55 146.71 23.73 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 118.137 0.426 . . . . 72.099999999999994 111.979 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.724 ' SG ' HD23 ' B' ' 129' ' ' LEU . 37.3 m -87.93 101.66 13.96 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.205 -0.907 . . . . 73.510000000000005 110.108 -176.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.624 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.3 ppt_? -114.67 142.09 46.94 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 113.436 0.902 . . . . 75.439999999999998 113.436 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 ' HD3' ' A' ' 25' ' ' ARG . 21.6 p -89.85 0.3 57.12 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.163 -0.926 . . . . 63.299999999999997 113.473 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.2 -99.88 0.62 Allowed Glycine 0 CA--C 1.479 -2.212 0 N-CA-C 109.969 -1.253 . . . . 73.319999999999993 109.969 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.624 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 12.2 ptp180 -135.29 178.47 7.01 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.351 -0.981 . . . . 75.25 108.351 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 21.1 p -146.7 158.52 43.92 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 120.705 -0.398 . . . . 53.020000000000003 110.98 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.38 91.04 1.71 Allowed 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 123.591 0.557 . . . . 73.349999999999994 110.303 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 13.2 t 161.45 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 105.082 -2.192 . . . . 74.109999999999999 105.082 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 0.276 7.0 mmm180 59.34 -84.27 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.615 2.08 . . . . 70.219999999999999 116.615 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.02 78.89 9.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-O 122.223 1.011 . . . . 73.310000000000002 109.991 -173.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -153.95 20.51 0.51 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.951 -1.477 . . . . 74.439999999999998 108.038 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 HD21 HG11 ' A' ' 19' ' ' VAL . 4.3 tt -77.85 111.07 13.3 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 105.221 -2.14 . . . . 73.519999999999996 105.221 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 p -113.78 -7.23 13.26 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-N 114.094 -1.412 . . . . 71.109999999999999 112.057 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.59 163.57 33.43 Favored Glycine 0 N--CA 1.404 -3.464 0 N-CA-C 110.761 -0.936 . . . . 73.019999999999996 110.761 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG11 HD21 ' A' ' 16' ' ' LEU . 11.1 m -139.49 151.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.242 0.544 . . . . 74.299999999999997 110.853 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 8.2 p -146.67 118.68 8.21 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.742 -1.117 . . . . 73.420000000000002 108.84 174.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.94 123.38 40.64 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.438 -1.319 . . . . 73.120000000000005 107.438 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.37 125.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.205 0 CA-C-N 114.624 -1.171 . . . . 70.230000000000004 108.843 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.7 p 55.44 31.97 17.99 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 125.627 1.571 . . . . 61.109999999999999 113.045 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.45 19.28 64.53 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.852 -0.69 . . . . 53.009999999999998 112.232 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HD3' HG23 ' A' ' 7' ' ' THR . 39.7 ttm180 -129.46 134.03 47.6 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 107.592 -1.262 . . . . 71.120000000000005 107.592 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 120.42 34.13 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.956 -0.698 . . . . 73.420000000000002 109.262 -175.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' B' ' 122' ' ' ILE . 73.2 m-85 -101.68 118.18 36.41 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.507 -0.77 . . . . 75.549999999999997 110.243 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.7 mtt85 -101.17 140.09 35.95 Favored 'General case' 0 CA--C 1.485 -1.542 0 C-N-CA 123.36 0.664 . . . . 74.230000000000004 109.21 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.655 HD23 ' SG ' ' B' ' 105' ' ' CYS . 62.6 mt -105.62 124.22 49.2 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 115.758 -0.655 . . . . 74.299999999999997 110.208 -177.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HB3' HH21 ' A' ' 6' ' ' ARG . 14.5 p -133.01 143.6 49.53 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 108.271 -1.011 . . . . 70.109999999999999 108.271 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 t -141.65 162.04 36.45 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.208 -0.997 . . . . 74.420000000000002 110.888 -170.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 33.1 ptt180 . . . . . 0 C--O 1.257 1.49 0 N-CA-C 109.732 -0.47 . . . . 73.109999999999999 109.732 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.898 0 N-CA-C 109.021 -0.733 . . . . 74.219999999999999 109.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.8 m -142.63 112.32 6.83 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.825 -0.806 . . . . 73.230000000000004 108.825 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 18.3 m -125.6 154.72 41.84 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 106.081 -1.822 . . . . 75.409999999999997 106.081 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.426 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 40.3 p90 -150.18 143.47 25.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.147 0.795 . . . . 73.340000000000003 113.147 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.655 ' SG ' HD23 ' A' ' 29' ' ' LEU . 33.5 m -78.31 106.16 10.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.744 -1.116 . . . . 54.039999999999999 109.93 -177.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.46 ' HD2' ' HB2' ' B' ' 128' ' ' ARG . 3.6 ppt_? -118.65 130.99 56.16 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.921 0.867 . . . . 74.239999999999995 112.872 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' B' ' 125' ' ' ARG . 30.4 p -74.38 -16.33 60.9 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-N 114.557 -1.201 . . . . 74.400000000000006 112.902 -174.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.42 -91.26 0.14 Allowed Glycine 0 CA--C 1.456 -3.612 0 C-N-CA 119.537 -1.316 . . . . 60.5 110.449 -175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -119.82 177.65 4.89 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.39 -0.967 . . . . 74.129999999999995 108.39 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.453 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 22.4 p -147.47 166.55 26.91 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 119.72 -0.181 . . . . 75.129999999999995 110.727 175.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.27 84.37 3.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.327 0.584 . . . . 72.400000000000006 110.706 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 11.3 t 158.13 -21.71 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 104.861 -2.274 . . . . 71.200000000000003 104.861 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.293 16.9 mmm-85 68.76 -109.88 0.09 Allowed 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.187 -1.824 . . . . 75.319999999999993 114.917 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . 0.366 12.8 mm-40 -91.71 80.8 5.29 Favored 'General case' 0 N--CA 1.414 -2.259 0 N-CA-C 115.307 1.595 . . . . 75.25 115.307 -172.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 35.1 t -123.82 42.33 3.26 Favored 'General case' 0 C--N 1.272 -2.773 0 N-CA-C 103.768 -2.679 . . . . 61.130000000000003 103.768 172.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.476 HD22 HG11 ' B' ' 119' ' ' VAL . 3.9 tt -77.5 116.67 18.26 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.054 -1.461 . . . . 72.239999999999995 107.054 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.2 p -118.17 -7.2 10.82 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.264 -1.334 . . . . 75.430000000000007 112.216 -172.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.88 164.02 33.91 Favored Glycine 0 N--CA 1.422 -2.247 0 N-CA-C 110.349 -1.1 . . . . 72.430000000000007 110.349 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.476 HG11 HD22 ' B' ' 116' ' ' LEU . 14.1 m -138.67 151.83 24.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.246 0.546 . . . . 73.230000000000004 110.57 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.7 p -143.93 112.84 6.69 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 115.273 -0.876 . . . . 74.099999999999994 109.509 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.416 ' HB2' HD23 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -98.26 121.43 40.17 Favored 'General case' 0 N--CA 1.413 -2.324 0 N-CA-C 108.097 -1.075 . . . . 75.219999999999999 108.097 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.543 HD11 ' CE2' ' A' ' 27' ' ' TYR . 18.6 mt -129.81 121.63 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 114.536 -1.211 . . . . 74.319999999999993 108.712 -172.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 57.1 p 51.33 32.19 8.08 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.264 1.426 . . . . 75.140000000000001 113.946 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 100.71 -10.78 59.19 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.385 -0.436 . . . . 74.439999999999998 113.305 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.475 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 62.9 ttt180 -104.73 135.76 45.52 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.771 -0.826 . . . . 75.319999999999993 108.771 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.444 HD13 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -94.49 123.35 37.86 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.05 -0.66 . . . . 74.420000000000002 109.417 -176.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 94.4 m-85 -105.96 112.32 25.32 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.683 -0.69 . . . . 71.439999999999998 109.525 175.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 76.7 mtt85 -91.48 142.82 27.24 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 109.374 -0.602 . . . . 74.519999999999996 109.374 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.724 HD23 ' SG ' ' A' ' 5' ' ' CYS . 71.3 mt -105.74 126.12 51.79 Favored 'General case' 0 C--N 1.272 -2.769 0 N-CA-C 109.347 -0.612 . . . . 71.030000000000001 109.347 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' B' ' 115' ' ' SER . 22.7 p -126.07 142.43 51.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.192 -1.41 . . . . 74.049999999999997 107.192 172.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 27.3 t -142.28 152.4 42.97 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.285 -0.966 . . . . 73.129999999999995 110.818 -172.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.431 ' HG3' ' OXT' ' B' ' 132' ' ' ARG . 26.5 ptt180 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 118.596 -0.716 . . . . 75.230000000000004 109.116 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.292 -0.633 . . . . 74.230000000000004 109.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m -120.85 111.46 17.58 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.413 -0.958 . . . . 70.239999999999995 108.413 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.2 m -123.39 164.0 19.71 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.473 -0.936 . . . . 53.530000000000001 108.473 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -157.79 144.4 17.82 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 122.508 0.323 . . . . 74.540000000000006 110.214 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.641 ' SG ' HD23 ' B' ' 129' ' ' LEU . 20.8 m -88.65 119.98 29.61 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.824 -0.626 . . . . 71.409999999999997 109.423 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.58 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.2 ppt_? -129.1 135.32 48.73 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 113.397 0.888 . . . . 74.319999999999993 113.397 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.577 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 42.4 p -82.22 -11.46 58.67 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.061 -0.972 . . . . 75.209999999999994 112.303 -173.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -131.61 -119.22 2.06 Favored Glycine 0 CA--C 1.456 -3.605 0 N-CA-C 108.78 -1.728 . . . . 54.530000000000001 108.78 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.58 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 18.3 ptp180 -107.89 177.97 4.66 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 109.292 -0.632 . . . . 71.129999999999995 109.292 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 14.2 p -138.29 160.54 39.22 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.491 -0.929 . . . . 72.200000000000003 108.491 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.13 79.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 74.439999999999998 112.087 -174.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 169.07 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.432 1.493 . . . . 64.129999999999995 107.821 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 66.51 -75.42 0.06 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.131 0.972 . . . . 75.430000000000007 112.764 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.78 87.1 3.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.69 0.757 . . . . 74.530000000000001 110.158 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 40.7 t -166.65 14.39 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.175 -1.375 . . . . 64.019999999999996 108.117 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.411 HD23 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.76 112.92 16.38 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 106.977 -1.49 . . . . 75.209999999999994 106.977 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 p -116.76 -4.45 11.63 Favored 'General case' 0 C--N 1.27 -2.86 0 CA-C-N 113.952 -1.477 . . . . 52.049999999999997 112.294 -171.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 163.95 34.16 Favored Glycine 0 N--CA 1.418 -2.565 0 C-N-CA 120.178 -1.01 . . . . 64.219999999999999 111.81 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 HG13 HD23 ' A' ' 16' ' ' LEU . 9.2 m -143.32 147.31 20.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 123.292 0.637 . . . . 75.200000000000003 111.008 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -146.96 119.5 8.49 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 114.875 -1.057 . . . . 74.150000000000006 109.269 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.45 122.61 40.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.847 -1.168 . . . . 63.299999999999997 107.847 178.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 HD13 ' CE2' ' B' ' 127' ' ' TYR . 31.8 mt -130.16 120.94 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 114.541 -1.208 . . . . 73.150000000000006 108.916 -172.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' 22' ' ' ILE . 38.4 p 52.93 33.1 13.82 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.814 1.246 . . . . 72.540000000000006 113.594 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 -11.47 68.46 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.213 -0.448 . . . . 65.209999999999994 112.514 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HE ' HG23 ' A' ' 7' ' ' THR . 75.1 ttt180 -103.33 132.25 49.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.072 -1.084 . . . . 73.209999999999994 108.072 -174.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -93.55 125.21 38.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.198 -0.667 . . . . 73.340000000000003 109.198 -174.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' B' ' 122' ' ' ILE . 67.6 m-85 -106.31 111.6 24.25 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 123.157 0.583 . . . . 63.119999999999997 110.9 176.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.488 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.4 mtt85 -93.76 143.66 26.12 Favored 'General case' 0 CA--C 1.48 -1.714 0 CA-C-N 115.44 -0.8 . . . . 73.030000000000001 108.876 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.4 mt -108.22 127.89 54.23 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 109.079 -0.711 . . . . 75.340000000000003 109.079 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' HH21 ' A' ' 6' ' ' ARG . 8.7 p -129.18 142.51 50.84 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 108.177 -1.045 . . . . 71.409999999999997 108.177 171.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 t -147.3 153.71 40.06 Favored 'General case' 0 N--CA 1.416 -2.162 0 C-N-CA 119.184 -1.006 . . . . 74.129999999999995 111.274 -168.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 . . . . . 0 C--O 1.255 1.392 0 CA-C-N 115.496 -0.775 . . . . 74.439999999999998 109.393 177.464 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 109.044 -0.725 . . . . 72.349999999999994 109.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.408 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 52.6 m -124.97 111.49 15.47 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.283 -1.006 . . . . 74.019999999999996 108.283 175.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.6 m -123.94 156.09 36.98 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.304 -1.369 . . . . 74.030000000000001 107.304 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -151.81 151.15 30.96 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 120.504 0.192 . . . . 72.530000000000001 110.579 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.651 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.4 m -94.64 109.67 21.57 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.881 0.738 . . . . 62.420000000000002 110.63 -174.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.534 ' HD3' ' C ' ' B' ' 109' ' ' ARG . 7.1 ptt180 -98.88 147.7 24.68 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.958 0.409 . . . . 71.439999999999998 111.525 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.3 p -96.07 5.25 51.56 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.638 -0.71 . . . . 70.530000000000001 111.589 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -172.74 -75.54 0.05 OUTLIER Glycine 0 N--CA 1.42 -2.375 0 N-CA-C 110.221 -1.152 . . . . 53.329999999999998 110.221 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.534 ' C ' ' HD3' ' B' ' 106' ' ' ARG . 16.6 ptp180 -132.07 162.73 30.09 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.657 0.265 . . . . 72.329999999999998 111.441 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -136.47 150.97 48.97 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 109.213 -0.662 . . . . 74.340000000000003 109.213 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.6 84.34 1.57 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.205 0.526 . . . . 71.319999999999993 110.885 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.1 t 165.71 -29.53 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 126.191 1.796 . . . . 73.409999999999997 106.853 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 62.59 -79.25 0.03 OUTLIER 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.302 1.223 . . . . 73.439999999999998 114.302 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.52 81.36 7.79 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 122.332 1.063 . . . . 63.43 110.504 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 30.5 t -157.46 21.67 0.29 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.678 -1.601 . . . . 62.5 106.831 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.414 HD23 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -78.8 123.42 27.18 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.278 -1.749 . . . . 72.329999999999998 106.278 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 16.1 p -125.64 -1.72 7.37 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 114.988 -1.006 . . . . 75.519999999999996 112.866 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.73 163.58 33.35 Favored Glycine 0 N--CA 1.428 -1.836 0 N-CA-C 110.646 -0.981 . . . . 73.239999999999995 110.646 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.414 HG13 HD23 ' B' ' 116' ' ' LEU . 12.4 m -143.28 145.71 22.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 CA-C-O 121.166 0.508 . . . . 71.209999999999994 111.046 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.6 p -143.31 124.45 14.51 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 115.263 -0.88 . . . . 75.329999999999998 109.648 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.3 118.94 36.09 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 108.091 -1.077 . . . . 74.109999999999999 108.091 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.422 HD11 ' CE2' ' A' ' 27' ' ' TYR . 48.0 mt -127.91 123.29 60.5 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.198 0 CA-C-N 114.196 -1.365 . . . . 73.329999999999998 108.293 -172.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.9 p 53.04 31.7 11.6 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 125.11 1.364 . . . . 61.329999999999998 112.546 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.22 -1.13 87.58 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.051 -0.595 . . . . 71.340000000000003 112.236 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -106.82 136.94 45.78 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.89 -1.152 . . . . 72.450000000000003 107.89 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.76 123.2 38.07 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 119.832 -0.747 . . . . 74.420000000000002 110.956 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.446 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.5 m-85 -105.46 112.71 25.91 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 114.963 -1.017 . . . . 75.549999999999997 110.382 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.456 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.0 mtt85 -95.55 142.96 27.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.64 -0.874 . . . . 74.040000000000006 108.64 177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.641 HD23 ' SG ' ' A' ' 5' ' ' CYS . 61.3 mt -105.06 123.56 48.02 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 109.351 -0.611 . . . . 75.049999999999997 109.351 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.493 ' SG ' ' NE ' ' B' ' 106' ' ' ARG . 61.6 m -110.79 131.62 54.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.025 -1.842 . . . . 71.200000000000003 106.025 174.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 14.6 t -141.98 148.19 38.17 Favored 'General case' 0 N--CA 1.416 -2.156 0 C-N-CA 118.307 -1.357 . . . . 75.340000000000003 111.944 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.408 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 15.6 ptm180 . . . . . 0 N--CA 1.415 -2.186 0 CA-C-N 114.456 -1.247 . . . . 74.510000000000005 108.049 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 109.507 -0.553 . . . . 71.230000000000004 109.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -113.74 110.83 20.79 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.742 -1.577 . . . . 73.109999999999999 106.742 174.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' B' ' 117' ' ' SER . 11.2 m -128.0 167.15 17.1 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.975 -1.12 . . . . 71.129999999999995 107.975 -174.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -159.36 155.62 27.07 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 110.098 -0.334 . . . . 74.230000000000004 110.098 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' B' ' 129' ' ' LEU . 24.8 m -92.21 111.47 23.05 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.157 -0.683 . . . . 75.349999999999994 109.157 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.2 ptt180 -103.34 148.08 26.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.621 -0.263 . . . . 75.109999999999999 110.677 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 p -94.38 7.1 46.67 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.616 0.722 . . . . 75.040000000000006 111.117 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.508 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -168.0 -122.54 0.62 Allowed Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.6 -1.4 . . . . 62.219999999999999 109.6 -176.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' HA ' HH11 ' A' ' 6' ' ' ARG . 24.4 ptt180 -98.15 173.31 7.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 117.186 0.493 . . . . 75.099999999999994 110.568 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -146.42 169.4 18.95 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.935 -1.876 . . . . 75.120000000000005 105.935 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.05 7.3 1.7 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.737 0.78 . . . . 53.509999999999998 112.16 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -133.79 37.87 3.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 105.955 -1.868 . . . . 74.319999999999993 105.955 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HD2' ' O ' ' A' ' 13' ' ' ARG . 3.0 tmm_? -46.36 -44.01 16.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.804 2.042 . . . . 73.409999999999997 112.834 -173.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.51 -34.13 68.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.887 0.375 . . . . 55.310000000000002 111.207 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -80.01 79.12 6.59 Favored 'General case' 0 N--CA 1.419 -1.988 0 CA-C-O 121.899 0.857 . . . . 53.549999999999997 110.532 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.547 HD21 HG11 ' A' ' 19' ' ' VAL . 4.1 tt -99.54 112.83 24.98 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 104.606 -2.368 . . . . 71.310000000000002 104.606 172.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 p -101.55 -21.07 14.82 Favored 'General case' 0 C--N 1.272 -2.761 0 CA-C-N 115.205 -0.907 . . . . 70.239999999999995 112.176 -172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.84 163.99 37.43 Favored Glycine 0 N--CA 1.419 -2.451 0 N-CA-C 110.286 -1.126 . . . . 71.25 110.286 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.547 HG11 HD21 ' A' ' 16' ' ' LEU . 3.0 m -139.42 147.77 24.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-O 121.215 0.531 . . . . 74.239999999999995 112.011 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.0 p -147.99 111.58 5.01 Favored 'General case' 0 C--N 1.277 -2.553 0 CA-C-N 114.583 -1.19 . . . . 71.109999999999999 108.708 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB2' HD21 ' A' ' 26' ' ' LEU . 40.5 tt0 -96.75 110.96 23.32 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 107.588 -1.264 . . . . 65.329999999999998 107.588 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.484 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.0 mt -122.74 133.85 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-N 114.737 -1.12 . . . . 72.310000000000002 108.134 -172.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 p 54.86 33.22 19.39 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 124.874 1.27 . . . . 74.040000000000006 111.867 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.41 86.82 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.861 -0.609 . . . . 63.43 113.332 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -112.08 137.29 50.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.302 -1.369 . . . . 75.120000000000005 107.302 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.1 116.92 29.5 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 119.141 -1.023 . . . . 75.040000000000006 108.423 -174.206 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 91.5 m-85 -97.16 104.83 16.88 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 115.364 -0.835 . . . . 73.230000000000004 109.45 175.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -91.01 151.04 21.2 Favored 'General case' 0 CA--C 1.48 -1.721 0 CA-C-N 115.281 -0.872 . . . . 72.329999999999998 108.945 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD23 ' SG ' ' B' ' 105' ' ' CYS . 53.2 mt -111.57 121.92 46.43 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 108.903 -0.777 . . . . 72.129999999999995 108.903 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.24 142.17 51.46 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 107.17 -1.419 . . . . 74.299999999999997 107.17 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.5 t -134.77 148.18 50.17 Favored 'General case' 0 N--CA 1.408 -2.538 0 C-N-CA 117.936 -1.506 . . . . 74.400000000000006 112.535 -170.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 . . . . . 0 C--N 1.302 -1.498 0 C-N-CA 124.99 1.316 . . . . 73.349999999999994 109.149 178.847 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 109.32 -0.622 . . . . 73.099999999999994 109.32 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 99.3 m -113.72 113.62 25.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 109.562 -0.533 . . . . 75.329999999999998 109.562 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -137.55 168.73 19.08 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.181 -1.044 . . . . 71.109999999999999 108.181 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.424 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 31.2 p90 -164.5 153.17 12.85 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.79 0.436 . . . . 62.049999999999997 110.222 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.59 ' SG ' HD23 ' A' ' 29' ' ' LEU . 32.2 m -88.61 106.11 18.1 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 123.668 0.605 . . . . 60.119999999999997 109.92 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.3 ptt180 -97.42 147.45 24.2 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 116.072 -0.513 . . . . 73.420000000000002 111.353 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.0 p -91.82 2.21 56.66 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.577 0.704 . . . . 55.100000000000001 111.391 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.494 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -170.98 -105.37 0.18 Allowed Glycine 0 N--CA 1.419 -2.449 0 N-CA-C 109.736 -1.346 . . . . 54.25 109.736 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -101.91 174.87 5.75 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.849 -0.426 . . . . 72.209999999999994 109.849 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.456 ' C ' ' H ' ' B' ' 112' ' ' THR . 24.1 p -146.54 169.64 18.53 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 107.897 -1.149 . . . . 62.450000000000003 107.897 175.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.86 15.69 0.14 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.616 0.722 . . . . 75.439999999999998 111.973 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.456 ' H ' ' C ' ' B' ' 110' ' ' CYS . 6.9 t -138.52 87.22 2.21 Favored 'General case' 0 N--CA 1.402 -2.868 0 CA-C-O 122.621 1.201 . . . . 74.129999999999995 108.183 173.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -75.16 175.61 8.09 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.188 -0.914 . . . . 75.109999999999999 109.821 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 73.46 -45.93 0.62 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.335 1.054 . . . . 71.450000000000003 111.438 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t -74.59 73.09 1.97 Allowed 'General case' 0 N--CA 1.433 -1.282 0 C-N-CA 123.447 0.699 . . . . 73.420000000000002 112.469 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.464 HD22 HG11 ' B' ' 119' ' ' VAL . 4.6 tt -101.59 112.73 25.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.307 -2.108 . . . . 71.540000000000006 105.307 169.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.439 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 26.4 p -107.0 -14.35 14.96 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-N 115.613 -0.721 . . . . 74.200000000000003 112.861 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.36 164.41 34.83 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 110.886 -0.885 . . . . 75.25 110.886 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.464 HG11 HD22 ' B' ' 116' ' ' LEU . 4.8 m -139.53 150.93 22.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.356 0.598 . . . . 74.019999999999996 111.545 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.3 p -150.46 121.21 7.54 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 114.731 -1.122 . . . . 71.510000000000005 109.747 175.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.433 ' HB2' HD23 ' B' ' 126' ' ' LEU . 0.3 OUTLIER -97.86 122.71 41.29 Favored 'General case' 0 N--CA 1.417 -2.102 0 N-CA-C 107.426 -1.324 . . . . 75.319999999999993 107.426 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 41.5 mt -129.02 121.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-N 114.823 -1.081 . . . . 74.519999999999996 109.503 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 69.1 p 48.49 32.15 3.22 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 126.407 1.883 . . . . 72.430000000000007 114.826 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 106.02 -5.9 39.73 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.734 -0.746 . . . . 36.990000000000002 113.244 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -116.33 138.69 51.12 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 117.435 0.617 . . . . 73.310000000000002 110.043 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.82 118.87 32.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.714 -0.847 . . . . 71.099999999999994 108.714 -177.369 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.484 ' CE2' HD13 ' A' ' 22' ' ' ILE . 76.3 m-85 -100.36 121.5 41.6 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.419 -0.81 . . . . 75.329999999999998 110.775 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.6 mtt85 -100.19 152.7 19.97 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.002 -0.74 . . . . 75.420000000000002 109.002 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.2 mt -112.52 129.24 56.42 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 108.407 -0.96 . . . . 72.420000000000002 108.407 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.77 135.16 46.57 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 109.439 -0.578 . . . . 70.5 109.439 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 83.4 m -115.26 140.12 49.37 Favored 'General case' 0 N--CA 1.417 -2.098 0 CA-C-N 115.773 -0.649 . . . . 74.400000000000006 111.273 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 C--N 1.297 -1.705 0 C-N-CA 125.405 1.482 . . . . 73.450000000000003 110.225 -175.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 110.126 -0.324 . . . . 71.109999999999999 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.7 m -116.95 110.63 18.53 Favored 'General case' 0 N--CA 1.424 -1.735 0 N-CA-C 107.812 -1.181 . . . . 74.129999999999995 107.812 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 m -125.95 154.77 42.37 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 106.222 -1.77 . . . . 63.43 106.222 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -152.69 151.0 30.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 118.334 0.515 . . . . 72.409999999999997 110.98 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.58 ' SG ' HD23 ' B' ' 129' ' ' LEU . 16.6 m -87.36 106.31 17.86 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.066 -0.97 . . . . 75.049999999999997 109.176 -176.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.495 HH11 ' HA ' ' A' ' 9' ' ' ARG . 10.8 ptt180 -97.98 141.64 30.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.828 0.347 . . . . 74.120000000000005 111.068 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.0 p -88.86 6.28 39.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.929 -0.578 . . . . 71.129999999999995 111.675 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.76 -96.34 0.1 Allowed Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 110.192 -1.163 . . . . 36.32 110.192 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.495 ' HA ' HH11 ' A' ' 6' ' ' ARG . 34.0 ptt180 -124.57 170.69 10.67 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.11 0.481 . . . . 75.510000000000005 111.119 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.75 169.34 17.79 Favored 'General case' 0 N--CA 1.417 -2.121 0 N-CA-C 104.348 -2.464 . . . . 73.239999999999995 104.348 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.68 61.82 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 119.171 0.896 . . . . 74.439999999999998 110.563 -173.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' HG21 ' A' ' 12' ' ' THR . 8.0 t -113.82 89.31 3.05 Favored 'General case' 0 N--CA 1.406 -2.631 0 CA-C-O 122.23 1.014 . . . . 71.450000000000003 110.321 174.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 74.409999999999997 108.558 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -51.43 -36.92 45.99 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.613 1.565 . . . . 62.200000000000003 112.216 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.637 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 48.9 m -79.89 19.94 0.65 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.58 0.955 . . . . 75.420000000000002 113.58 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' HB2' ' NH2' ' A' ' 6' ' ' ARG . 4.2 tt -76.83 115.44 16.61 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 105.442 -2.058 . . . . 63.32 105.442 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.2 p -122.56 -2.53 8.9 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 114.566 -1.197 . . . . 63.020000000000003 112.521 -171.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.63 162.43 31.72 Favored Glycine 0 N--CA 1.42 -2.398 0 N-CA-C 110.549 -1.02 . . . . 63.210000000000001 110.549 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' HB ' HD12 ' A' ' 26' ' ' LEU . 9.5 m -141.44 149.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.326 0.584 . . . . 72.099999999999994 111.363 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -146.1 121.79 10.5 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 114.838 -1.073 . . . . 63.520000000000003 109.546 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.41 122.45 40.48 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 107.819 -1.178 . . . . 74.25 107.819 178.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.412 HD12 ' CE2' ' B' ' 127' ' ' TYR . 27.1 mt -136.95 128.84 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.861 0 CA-C-N 114.517 -1.22 . . . . 74.219999999999999 108.448 -173.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.8 p 54.07 32.36 15.5 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.288 1.435 . . . . 74.040000000000006 113.335 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.51 10.45 76.9 Favored Glycine 0 C--O 1.24 0.478 0 C-N-CA 120.784 -0.722 . . . . 62.130000000000003 112.391 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -123.04 137.98 54.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.794 -0.817 . . . . 63.450000000000003 108.794 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD12 ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -94.37 117.35 29.99 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.538 -0.912 . . . . 72.530000000000001 108.538 -178.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.487 ' CZ ' HD11 ' B' ' 122' ' ' ILE . 84.6 m-85 -97.15 118.69 34.14 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.434 -0.803 . . . . 75.340000000000003 109.681 177.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 61.2 mtt85 -100.27 145.5 28.03 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.768 -0.651 . . . . 74.230000000000004 109.292 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.698 HD23 ' SG ' ' B' ' 105' ' ' CYS . 55.8 mt -108.47 115.59 30.38 Favored 'General case' 0 C--N 1.268 -2.949 0 N-CA-C 108.838 -0.801 . . . . 73.019999999999996 108.838 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HA ' ' O ' ' A' ' 15' ' ' SER . 16.0 p -116.37 117.87 31.15 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 109.253 -0.647 . . . . 73.329999999999998 109.253 172.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.52 143.34 39.31 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 115.722 -0.672 . . . . 72.219999999999999 111.152 -172.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 . . . . . 0 C--O 1.256 1.425 0 CA-C-N 115.117 -0.947 . . . . 75.420000000000002 109.327 -177.848 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 120.75 0.31 . . . . 62.539999999999999 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' B' ' 132' ' ' ARG . 93.5 m -139.79 112.69 8.06 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.988 -0.745 . . . . 73.430000000000007 108.988 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 m -126.23 166.34 17.26 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 106.459 -1.682 . . . . 74.140000000000001 106.459 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -158.11 154.75 27.99 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 118.16 0.436 . . . . 74.239999999999995 110.95 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.698 ' SG ' HD23 ' A' ' 29' ' ' LEU . 29.7 m -91.29 102.11 14.82 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 123.859 0.724 . . . . 63.409999999999997 109.142 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.5 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.0 ptt180 -91.71 140.31 29.83 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.071 0.462 . . . . 63.509999999999998 111.045 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.4 p -89.06 22.44 2.76 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.699 -0.682 . . . . 74.120000000000005 111.07 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 175.84 -113.06 0.42 Allowed Glycine 0 N--CA 1.426 -2.028 0 N-CA-C 110.472 -1.051 . . . . 72.209999999999994 110.472 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.5 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.8 ptt180 -106.94 175.05 5.63 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.719 -0.474 . . . . 74.540000000000006 109.719 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 p -139.01 162.3 35.26 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.432 -1.321 . . . . 75.329999999999998 107.432 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.06 -19.54 61.81 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 113.044 0.757 . . . . 62.219999999999999 113.044 -171.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t -75.0 -34.06 61.92 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 109.549 -0.538 . . . . 71.340000000000003 109.549 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 58.19 177.29 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.92 0.888 . . . . 75.310000000000002 111.976 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 69.83 -61.27 0.45 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.083 0.953 . . . . 75.530000000000001 113.083 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 40.6 m -71.44 83.36 0.8 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 114.406 1.261 . . . . 61.109999999999999 114.406 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.52 HD22 HG12 ' B' ' 119' ' ' VAL . 4.2 tt -101.19 116.27 32.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.674 -1.973 . . . . 62.409999999999997 105.674 170.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 9.8 p -104.19 -16.81 15.11 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 113.409 0.892 . . . . 73.219999999999999 113.409 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.64 164.12 34.22 Favored Glycine 0 N--CA 1.42 -2.378 0 N-CA-C 110.579 -1.008 . . . . 72.120000000000005 110.579 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.52 HG12 HD22 ' B' ' 116' ' ' LEU . 5.5 m -139.13 151.53 23.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.258 0.551 . . . . 74.219999999999999 111.694 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.7 p -148.65 116.7 6.4 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.746 -1.116 . . . . 71.430000000000007 109.45 175.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.438 ' HB2' HD23 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.08 121.13 38.62 Favored 'General case' 0 CA--C 1.474 -1.944 0 N-CA-C 107.602 -1.259 . . . . 74.209999999999994 107.602 179.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.487 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 25.8 mt -135.32 129.11 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 CA-C-N 114.665 -1.152 . . . . 74.430000000000007 108.285 -172.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 55.1 p 53.42 32.0 13.13 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 124.933 1.293 . . . . 74.340000000000003 113.425 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.71 0.15 75.91 Favored Glycine 0 CA--C 1.507 -0.461 0 C-N-CA 121.168 -0.539 . . . . 52.210000000000001 112.86 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.416 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.6 ttm180 -116.05 139.49 50.23 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 108.912 -0.773 . . . . 73.030000000000001 108.912 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.0 115.33 27.65 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 108.684 -0.858 . . . . 71.349999999999994 108.684 -177.183 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 90.8 m-85 -95.71 111.9 23.75 Favored 'General case' 0 C--N 1.278 -2.542 0 CA-C-N 115.808 -0.633 . . . . 75.209999999999994 109.837 177.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -95.88 151.86 19.02 Favored 'General case' 0 CA--C 1.474 -1.964 0 CA-C-N 115.77 -0.65 . . . . 71.510000000000005 109.813 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.58 HD23 ' SG ' ' A' ' 5' ' ' CYS . 47.6 mt -113.23 122.67 48.17 Favored 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 108.477 -0.934 . . . . 73.400000000000006 108.477 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 129.09 45.32 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 106.677 -1.601 . . . . 52.530000000000001 106.677 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 9.2 t -112.45 164.04 13.74 Favored 'General case' 0 C--N 1.277 -2.545 0 C-N-CA 119.357 -0.937 . . . . 45.420000000000002 110.148 -171.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' B' ' 102' ' ' THR . 15.7 ptm180 . . . . . 0 C--N 1.307 -1.272 0 CA-C-O 118.535 -0.745 . . . . 73.349999999999994 109.664 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 108.845 -0.798 . . . . 70.219999999999999 108.845 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 111.85 14.41 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 119.993 -0.683 . . . . 65.140000000000001 109.439 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 m -122.72 166.97 14.07 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.773 -1.566 . . . . 73.420000000000002 106.773 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -155.42 144.67 20.94 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.538 0.209 . . . . 75.450000000000003 110.964 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' B' ' 129' ' ' LEU . 18.3 m -94.38 108.05 19.98 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.911 -0.774 . . . . 74.109999999999999 108.911 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -125.9 159.9 31.34 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.663 -0.815 . . . . 75.120000000000005 110.888 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.451 HG22 ' NE ' ' A' ' 25' ' ' ARG . 24.6 p -98.68 8.2 45.21 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 112.534 0.568 . . . . 64.319999999999993 112.534 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.76 -157.97 7.38 Favored Glycine 0 N--CA 1.419 -2.448 0 C-N-CA 120.202 -0.999 . . . . 64.340000000000003 111.43 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -97.46 164.25 12.52 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 109.684 -0.487 . . . . 75.239999999999995 109.684 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.22 148.1 47.56 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 120.61 -0.436 . . . . 73.439999999999998 110.15 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 81.37 1.03 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.066 0.936 . . . . 71.200000000000003 111.945 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 t 173.72 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.373 -1.74 . . . . 74.239999999999995 107.046 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 15' ' ' SER . 30.4 mmm180 58.0 -177.39 0.07 Allowed 'General case' 0 C--N 1.364 1.201 0 CA-C-N 115.282 -0.872 . . . . 74.299999999999997 110.857 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 69.82 -26.2 0.15 Allowed 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 124.095 0.958 . . . . 74.25 112.6 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 13' ' ' ARG . 35.3 t -79.91 6.22 11.79 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 124.501 1.121 . . . . 74.319999999999993 113.087 -174.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 HD21 HG13 ' A' ' 19' ' ' VAL . 3.5 tt -77.74 114.96 17.11 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.053 -1.832 . . . . 65.400000000000006 106.053 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 p -111.7 -19.83 12.33 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-N 114.108 -1.405 . . . . 51.549999999999997 111.823 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.13 164.37 37.41 Favored Glycine 0 N--CA 1.421 -2.308 0 N-CA-C 110.192 -1.163 . . . . 44.219999999999999 110.192 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.449 HG13 HD21 ' A' ' 16' ' ' LEU . 18.9 m -136.31 157.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.116 0.484 . . . . 73.319999999999993 110.884 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.4 p -147.46 122.71 10.24 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 114.993 -1.003 . . . . 61.539999999999999 109.432 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.86 121.62 39.99 Favored 'General case' 0 N--CA 1.415 -2.176 0 N-CA-C 108.03 -1.1 . . . . 73.239999999999995 108.03 177.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -134.36 128.89 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.057 0 CA-C-N 114.238 -1.346 . . . . 75.340000000000003 107.765 -175.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p 55.93 31.46 17.88 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.308 1.443 . . . . 74.340000000000003 112.727 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.09 11.03 84.86 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.163 -0.542 . . . . 55.450000000000003 112.134 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.451 ' NE ' HG22 ' A' ' 7' ' ' THR . 40.7 ttt180 -120.48 135.51 55.04 Favored 'General case' 0 N--CA 1.421 -1.898 0 N-CA-C 106.711 -1.588 . . . . 71.120000000000005 106.711 -177.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.12 123.13 37.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.88 -0.728 . . . . 72.019999999999996 109.6 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 87.3 m-85 -103.98 117.03 33.34 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 115.428 -0.805 . . . . 65.150000000000006 110.294 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -96.14 142.94 27.72 Favored 'General case' 0 CA--C 1.48 -1.744 0 N-CA-C 108.847 -0.797 . . . . 74.340000000000003 108.847 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.7 HD22 ' SG ' ' B' ' 105' ' ' CYS . 62.3 mt -108.69 108.08 18.8 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-N 115.736 -0.665 . . . . 74.439999999999998 109.462 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 15' ' ' SER 0.27 27.8 p -114.9 142.35 46.71 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.662 -0.866 . . . . 72.239999999999995 108.662 172.081 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -138.91 164.58 29.31 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.768 -0.773 . . . . 71.25 112.247 -164.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.962 -0.755 . . . . 73.109999999999999 108.962 177.896 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 120.706 0.289 . . . . 65.310000000000002 110.649 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' B' ' 132' ' ' ARG . 61.5 m -131.27 111.82 12.23 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.887 -1.153 . . . . 71.239999999999995 107.887 171.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.0 m -120.11 159.87 23.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.162 -1.422 . . . . 65.540000000000006 107.162 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.72 148.47 22.69 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.881 0.372 . . . . 73.400000000000006 110.853 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.7 ' SG ' HD22 ' A' ' 29' ' ' LEU . 37.4 m -85.76 127.5 34.55 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.156 -0.929 . . . . 72.450000000000003 110.234 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -136.77 142.85 43.0 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 121.09 0.471 . . . . 75.549999999999997 112.19 178.006 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 72.4 p -76.57 -8.61 57.56 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 113.873 1.064 . . . . 75.040000000000006 113.873 -171.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.406 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -160.68 -65.73 0.02 OUTLIER Glycine 0 CA--C 1.469 -2.841 0 C-N-CA 119.369 -1.396 . . . . 72.450000000000003 111.58 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -135.24 178.16 7.25 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 120.314 -0.554 . . . . 73.0 109.789 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.488 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.5 p -145.85 136.63 24.37 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.814 -1.18 . . . . 55.340000000000003 107.814 172.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.419 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -73.2 86.0 1.4 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.378 0.609 . . . . 74.329999999999998 110.261 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 11.1 t 166.32 -34.21 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 125.806 1.642 . . . . 74.129999999999995 106.888 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 52.31 -98.95 0.08 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-N 114.977 -1.01 . . . . 73.230000000000004 113.681 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' B' ' 112' ' ' THR . 44.5 mt-10 61.44 -64.89 0.07 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.125 1.37 . . . . 71.299999999999997 114.6 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.0 t -148.06 116.99 6.75 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 112.34 0.496 . . . . 51.219999999999999 112.34 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.434 HD23 HG11 ' B' ' 119' ' ' VAL . 4.3 tt -84.39 111.4 19.41 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 103.63 -2.73 . . . . 72.230000000000004 103.63 167.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.7 p -103.73 -11.0 17.89 Favored 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 115.029 -0.987 . . . . 64.319999999999993 113.326 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.58 164.49 34.81 Favored Glycine 0 CA--C 1.476 -2.391 0 C-N-CA 119.719 -1.229 . . . . 64.200000000000003 111.059 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.434 HG11 HD23 ' B' ' 116' ' ' LEU . 15.4 m -141.12 143.46 28.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 121.476 0.655 . . . . 62.399999999999999 110.891 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 4.0 p -142.53 122.24 13.42 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 114.814 -1.084 . . . . 71.420000000000002 109.555 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.65 123.67 41.65 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.523 -1.288 . . . . 74.219999999999999 107.523 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.415 ' C ' ' HG ' ' B' ' 123' ' ' SER . 40.5 mt -135.95 128.97 47.11 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.158 0 N-CA-C 107.751 -1.203 . . . . 75.5 107.751 -173.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.415 ' HG ' ' C ' ' B' ' 122' ' ' ILE . 71.7 p 52.35 32.04 10.46 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.391 1.476 . . . . 60.229999999999997 113.383 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 16.82 73.18 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 120.79 -0.719 . . . . 71.040000000000006 112.019 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.458 ' CZ ' HG23 ' B' ' 107' ' ' THR . 63.3 ttt180 -128.29 139.65 52.31 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 107.133 -1.432 . . . . 75.040000000000006 107.133 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.1 OUTLIER -94.11 130.76 40.17 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 119.647 -0.821 . . . . 74.439999999999998 109.339 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.407 ' CE2' ' HB ' ' B' ' 122' ' ' ILE . 97.0 m-85 -114.65 108.83 17.33 Favored 'General case' 0 C--N 1.277 -2.547 0 CA-C-N 115.173 -0.921 . . . . 72.25 109.113 176.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 56.7 mtt85 -92.83 151.86 19.75 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.419 -0.81 . . . . 73.200000000000003 109.33 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.679 HD23 ' SG ' ' A' ' 5' ' ' CYS . 60.4 mt -112.92 136.73 52.25 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 108.769 -0.826 . . . . 74.109999999999999 108.769 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 6.3 p -133.12 140.07 47.43 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.303 -1.369 . . . . 75.450000000000003 107.303 171.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.8 t -142.59 151.83 41.92 Favored 'General case' 0 N--CA 1.421 -1.891 0 C-N-CA 118.366 -1.334 . . . . 73.510000000000005 111.575 -169.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.469 ' HG2' ' HB ' ' B' ' 102' ' ' THR . 39.0 ptt180 . . . . . 0 N--CA 1.432 -1.331 0 CA-C-N 115.469 -0.787 . . . . 74.150000000000006 108.964 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 110.235 -0.283 . . . . 73.209999999999994 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.0 m -122.9 112.27 17.65 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.965 -1.124 . . . . 73.230000000000004 107.965 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.1 m -122.32 165.59 16.02 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 107.593 -1.262 . . . . 61.539999999999999 107.593 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -160.76 152.36 19.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.074 -0.713 . . . . 75.200000000000003 109.074 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.646 ' SG ' HD23 ' B' ' 129' ' ' LEU . 34.3 m -89.14 109.09 20.0 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 123.789 0.681 . . . . 63.109999999999999 109.592 -176.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.2 ptt180 -94.53 138.61 32.22 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 121.56 0.695 . . . . 74.120000000000005 110.623 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 m -87.8 10.72 17.54 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.458 -1.246 . . . . 71.129999999999995 110.036 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.479 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . 178.78 -104.92 0.19 Allowed Glycine 0 N--CA 1.421 -2.329 0 N-CA-C 109.473 -1.451 . . . . 72.150000000000006 109.473 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -107.96 178.46 4.51 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.23 -0.656 . . . . 74.439999999999998 109.23 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 12' ' ' THR . 11.7 p -142.72 166.92 23.33 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.391 -0.966 . . . . 75.239999999999995 108.391 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.37 31.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.925 0.89 . . . . 70.530000000000001 112.059 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.477 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.5 t -169.65 36.64 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.69 -1.596 . . . . 61.030000000000001 106.69 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.95 85.14 1.26 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.155 -0.929 . . . . 71.299999999999997 110.341 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.02 18.07 0.37 Allowed 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.243 -1.762 . . . . 64.230000000000004 106.243 175.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -145.15 90.64 2.06 Favored 'General case' 0 N--CA 1.418 -2.071 0 CA-C-N 114.813 -1.085 . . . . 74.030000000000001 110.19 -176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.529 HD23 HG12 ' A' ' 19' ' ' VAL . 4.7 tt -102.19 110.75 22.79 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 105.218 -2.141 . . . . 74.450000000000003 105.218 170.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -105.72 -13.77 15.45 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.937 -0.574 . . . . 72.140000000000001 112.229 -174.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.89 164.15 34.1 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.615 -0.994 . . . . 63.219999999999999 110.615 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG12 HD23 ' A' ' 16' ' ' LEU . 12.3 m -136.52 156.6 35.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 CA-C-O 121.49 0.662 . . . . 73.340000000000003 111.228 175.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.39 123.02 8.57 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 114.586 -1.188 . . . . 72.519999999999996 110.232 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.16 123.44 40.92 Favored 'General case' 0 CA--C 1.478 -1.818 0 N-CA-C 107.815 -1.18 . . . . 72.409999999999997 107.815 178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.493 HD12 ' CE2' ' B' ' 127' ' ' TYR . 34.6 mt -134.04 124.94 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.15 0 CA-C-N 114.718 -1.128 . . . . 73.420000000000002 108.683 -173.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.0 p 52.56 31.74 10.49 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.236 1.414 . . . . 72.299999999999997 112.881 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.93 2.71 86.08 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 116.282 -0.417 . . . . 74.420000000000002 112.544 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -111.9 133.65 53.96 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.02 -1.474 . . . . 73.329999999999998 107.02 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.09 125.68 38.87 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.577 -0.849 . . . . 64.409999999999997 110.458 -174.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.413 ' CE2' HD11 ' B' ' 122' ' ' ILE . 71.4 m-85 -107.38 130.09 54.84 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.127 -0.942 . . . . 70.329999999999998 110.614 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 70.5 mtt85 -109.41 155.47 21.22 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 109.124 -0.695 . . . . 74.010000000000005 109.124 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.704 HD22 ' SG ' ' B' ' 105' ' ' CYS . 52.3 mt -113.53 119.15 36.53 Favored 'General case' 0 C--N 1.267 -3.019 0 N-CA-C 108.871 -0.788 . . . . 75.400000000000006 108.871 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.5 p -119.39 120.05 35.75 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 107.243 -1.391 . . . . 73.400000000000006 107.243 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 t -112.57 148.41 34.6 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.162 -1.015 . . . . 74.239999999999995 110.82 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--O 1.254 1.303 0 CA-C-N 116.086 -0.506 . . . . 75.140000000000001 109.846 -176.685 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.404 0 CA-C-O 120.736 0.303 . . . . 64.200000000000003 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 19.6 m -127.23 112.11 14.73 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.762 -0.829 . . . . 74.230000000000004 108.762 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 32.0 m -126.82 168.81 13.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.222 -1.399 . . . . 63.229999999999997 107.222 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -160.17 148.21 16.71 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 120.799 0.333 . . . . 74.200000000000003 111.867 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.704 ' SG ' HD22 ' A' ' 29' ' ' LEU . 19.8 m -89.6 112.48 23.71 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.427 -0.806 . . . . 71.340000000000003 109.91 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.471 ' O ' ' HD2' ' B' ' 106' ' ' ARG . 1.1 ppt_? -122.99 142.08 51.24 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 120.86 0.362 . . . . 62.219999999999999 111.646 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 48.5 p -89.45 2.67 54.21 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 121.338 0.589 . . . . 65.209999999999994 112.421 -173.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.38 -119.58 1.13 Allowed Glycine 0 N--CA 1.405 -3.414 0 N-CA-C 109.168 -1.573 . . . . 73.319999999999993 109.168 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -105.39 178.61 4.51 Favored 'General case' 0 C--N 1.277 -2.566 0 N-CA-C 109.147 -0.686 . . . . 75.25 109.147 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.55 168.55 18.45 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.519 -0.919 . . . . 71.219999999999999 108.519 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.25 74.48 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.053 -0.721 . . . . 72.109999999999999 109.053 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.9 t -75.82 108.67 8.84 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 104.895 -2.261 . . . . 74.439999999999998 104.895 165.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.572 17.8 mmm180 -72.12 82.31 0.98 Allowed 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 120.153 3.39 . . . . 74.040000000000006 120.153 -168.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.451 ' HG3' ' HB2' ' B' ' 116' ' ' LEU 0.33 37.2 tt0 63.01 88.09 0.1 Allowed 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 117.844 2.535 . . . . 73.040000000000006 117.844 168.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t -112.85 76.37 0.97 Allowed 'General case' 0 N--CA 1.399 -2.996 0 N-CA-C 102.65 -3.093 . . . . 73.430000000000007 102.65 163.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.515 HD22 HG11 ' B' ' 119' ' ' VAL . 4.4 tt -80.8 114.47 19.71 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 107.397 -1.334 . . . . 72.239999999999995 107.397 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.1 p -110.56 -13.97 14.15 Favored 'General case' 0 C--N 1.264 -3.114 0 CA-C-N 114.167 -1.379 . . . . 62.200000000000003 111.71 -173.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.43 163.77 35.95 Favored Glycine 0 N--CA 1.415 -2.74 0 N-CA-C 111.14 -0.784 . . . . 74.340000000000003 111.14 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.515 HG11 HD22 ' B' ' 116' ' ' LEU . 3.4 m -140.88 151.5 20.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 123.769 0.828 . . . . 74.209999999999994 110.856 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.34 116.02 5.91 Favored 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 114.876 -1.056 . . . . 51.409999999999997 108.511 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -97.19 107.75 20.34 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 106.87 -1.53 . . . . 72.099999999999994 106.87 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.413 HD11 ' CE2' ' A' ' 27' ' ' TYR . 47.2 mt -122.74 135.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 114.6 -1.182 . . . . 75.230000000000004 108.258 -172.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 66.1 p 55.83 32.56 19.84 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.283 1.033 . . . . 74.120000000000005 111.868 -178.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.08 19.07 76.96 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.538 -0.756 . . . . 73.439999999999998 112.594 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.464 ' NE ' HG22 ' B' ' 107' ' ' THR . 56.3 ttt180 -124.08 136.94 54.59 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 105.963 -1.866 . . . . 74.310000000000002 105.963 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.54 120.2 33.53 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.813 -1.155 . . . . 74.310000000000002 108.988 -174.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.493 ' CE2' HD12 ' A' ' 22' ' ' ILE . 88.1 m-85 -101.9 110.16 22.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.84 -0.618 . . . . 73.430000000000007 110.412 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -94.74 143.25 26.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 108.997 -0.742 . . . . 74.040000000000006 108.997 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.646 HD23 ' SG ' ' A' ' 5' ' ' CYS . 53.7 mt -105.97 124.49 49.66 Favored 'General case' 0 C--N 1.267 -3.015 0 CA-C-N 115.856 -0.611 . . . . 70.420000000000002 109.618 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.451 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 11.7 p -122.46 142.11 50.91 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 107.513 -1.291 . . . . 55.109999999999999 107.513 170.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.7 t -136.82 162.26 33.7 Favored 'General case' 0 N--CA 1.416 -2.158 0 C-N-CA 118.958 -1.097 . . . . 64.420000000000002 110.034 -172.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.432 -1.329 0 CA-C-N 116.256 -0.429 . . . . 74.340000000000003 110.542 -179.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.091 -0.707 . . . . 74.310000000000002 109.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.3 m -125.82 112.07 15.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.765 -1.198 . . . . 65.310000000000002 107.765 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.8 m -128.7 165.42 20.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 74.340000000000003 107.723 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -156.37 150.92 25.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.459 0.171 . . . . 74.239999999999995 111.402 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.68 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.4 m -95.91 121.14 37.33 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 123.695 0.622 . . . . 61.350000000000001 109.986 -175.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HD2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 ptp180 -142.73 155.9 44.94 Favored 'General case' 0 C--O 1.202 -1.41 0 N-CA-C 110.21 -0.293 . . . . 74.230000000000004 110.21 175.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.4 HG22 ' NE ' ' A' ' 25' ' ' ARG . 23.7 p -92.03 9.33 33.7 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 112.774 0.657 . . . . 74.140000000000001 112.774 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.24 -146.95 5.01 Favored Glycine 0 N--CA 1.427 -1.964 0 C-N-CA 120.233 -0.984 . . . . 64.310000000000002 112.629 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -98.07 173.36 7.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 123.363 0.665 . . . . 75.299999999999997 109.605 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 9.5 p -143.83 159.94 41.64 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 120.539 -0.464 . . . . 65.450000000000003 110.69 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 86.28 1.61 Allowed 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 121.746 0.784 . . . . 72.340000000000003 111.133 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t 173.15 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 125.875 1.67 . . . . 74.510000000000005 106.965 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 57.15 132.01 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 0 N-CA-C 115.883 1.809 . . . . 71.310000000000002 115.883 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 69.69 7.58 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.707 -1.133 . . . . 73.25 113.739 175.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -93.46 26.21 3.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 106.851 -1.537 . . . . 64.150000000000006 106.851 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -78.35 124.21 27.85 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 104.81 -2.293 . . . . 74.040000000000006 104.81 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -118.86 -8.49 10.29 Favored 'General case' 0 C--N 1.271 -2.832 0 CA-C-N 115.359 -0.837 . . . . 74.230000000000004 112.631 -172.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.3 34.67 Favored Glycine 0 N--CA 1.419 -2.465 0 N-CA-C 110.82 -0.912 . . . . 54.229999999999997 110.82 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.4 m -136.45 154.82 33.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-O 120.995 0.426 . . . . 75.420000000000002 110.666 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.2 p -148.41 115.93 6.26 Favored 'General case' 0 C--N 1.28 -2.448 0 CA-C-N 115.248 -0.887 . . . . 51.43 110.182 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.06 123.3 40.76 Favored 'General case' 0 N--CA 1.402 -2.873 0 N-CA-C 107.738 -1.208 . . . . 70.019999999999996 107.738 179.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.449 HD12 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -129.84 123.45 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 114.259 -1.337 . . . . 61.240000000000002 108.714 -171.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.9 p 50.86 31.99 6.74 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 125.222 1.409 . . . . 64.040000000000006 113.467 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.2 -0.56 64.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.117 -0.564 . . . . 74.400000000000006 113.191 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' NE ' HG22 ' A' ' 7' ' ' THR . 41.8 ttt180 -113.12 134.55 54.5 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.97 -1.122 . . . . 73.329999999999998 107.97 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.95 118.53 31.6 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.126 -0.694 . . . . 71.400000000000006 109.126 -174.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 78.4 m-85 -101.26 127.82 47.69 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 123.258 0.623 . . . . 72.420000000000002 110.619 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -102.02 143.93 31.25 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 123.455 0.702 . . . . 74.340000000000003 109.904 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.749 HD23 ' SG ' ' B' ' 105' ' ' CYS . 58.1 mt -107.83 108.03 19.03 Favored 'General case' 0 N--CA 1.396 -3.143 0 N-CA-C 107.495 -1.298 . . . . 75.129999999999995 107.495 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -116.03 127.88 55.26 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 107.101 -1.444 . . . . 70.409999999999997 107.101 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -116.12 158.09 23.76 Favored 'General case' 0 C--N 1.281 -2.375 0 C-N-CA 119.899 -0.72 . . . . 74.219999999999999 110.164 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.259 1.588 0 N-CA-C 109.777 -0.453 . . . . 70.349999999999994 109.777 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 109.74 -0.467 . . . . 71.219999999999999 109.74 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' B' ' 132' ' ' ARG . 95.5 m -137.91 112.76 9.01 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.981 -0.748 . . . . 72.420000000000002 108.981 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.7 m -120.53 163.59 17.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.668 -1.604 . . . . 52.140000000000001 106.668 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -153.58 146.3 24.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 120.788 0.328 . . . . 54.439999999999998 111.703 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.749 ' SG ' HD23 ' A' ' 29' ' ' LEU . 27.8 m -88.99 102.76 15.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.33 -0.85 . . . . 64.519999999999996 110.091 -175.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.549 ' NH1' ' HA ' ' B' ' 109' ' ' ARG . 3.9 ppt_? -113.05 137.16 51.84 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 121.814 0.816 . . . . 73.349999999999994 112.741 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.648 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 36.5 p -88.64 -0.63 57.46 Favored 'General case' 0 C--N 1.267 -3.003 0 CA-C-N 114.883 -1.053 . . . . 73.040000000000006 113.782 -171.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.15 -88.46 0.13 Allowed Glycine 0 CA--C 1.47 -2.738 0 N-CA-C 109.796 -1.321 . . . . 44.119999999999997 109.796 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.549 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 28.3 ptt180 -136.56 178.41 7.09 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.235 -0.654 . . . . 75.209999999999994 109.235 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.451 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 6.2 p -142.55 167.82 21.19 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 107.806 -1.183 . . . . 72.219999999999999 107.806 173.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.32 -7.82 49.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.404 0.621 . . . . 71.450000000000003 110.63 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.1 t -107.61 79.19 1.26 Allowed 'General case' 0 N--CA 1.409 -2.49 0 CA-C-O 122.88 1.324 . . . . 62.439999999999998 108.173 171.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -62.91 144.58 56.59 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.823 -1.081 . . . . 74.310000000000002 112.059 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 67.72 6.1 4.84 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 114.218 1.192 . . . . 71.0 114.218 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 20.2 t -92.66 32.99 1.16 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 107.609 -1.256 . . . . 64.219999999999999 107.609 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.427 HD21 HG11 ' B' ' 119' ' ' VAL . 3.6 tt -77.93 121.85 24.71 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 105.63 -1.989 . . . . 72.439999999999998 105.63 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.0 p -118.87 -5.11 10.62 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-N 114.913 -1.04 . . . . 75.409999999999997 112.572 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.09 164.09 33.89 Favored Glycine 0 N--CA 1.43 -1.704 0 N-CA-C 110.939 -0.864 . . . . 70.25 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.427 HG11 HD21 ' B' ' 116' ' ' LEU . 5.3 m -140.57 151.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-O 121.199 0.523 . . . . 75.319999999999993 111.292 176.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.4 p -153.07 117.05 4.81 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.603 -1.181 . . . . 74.519999999999996 109.252 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.411 ' HB2' HD23 ' B' ' 126' ' ' LEU . 41.5 tt0 -96.51 112.31 24.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.077 -1.453 . . . . 62.32 107.077 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.409 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 36.2 mt -127.35 135.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 N-CA-C 107.867 -1.161 . . . . 73.019999999999996 107.867 -173.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.405 ' HG ' ' C ' ' B' ' 122' ' ' ILE . 48.1 p 53.98 32.41 15.36 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.384 1.074 . . . . 72.230000000000004 112.455 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.86 -3.79 78.03 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-N 115.835 -0.621 . . . . 62.329999999999998 113.41 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.62 ' NE ' HG21 ' B' ' 107' ' ' THR . 61.8 ttt180 -106.09 138.15 42.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.43 -1.322 . . . . 73.430000000000007 107.43 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.648 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.89 117.86 30.67 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.629 -0.878 . . . . 74.519999999999996 108.629 -175.083 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 81.1 m-85 -98.99 106.58 18.85 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.361 0.601 . . . . 74.540000000000006 110.532 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.459 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 66.0 mtt85 -91.95 139.55 30.54 Favored 'General case' 0 CA--C 1.478 -1.801 0 N-CA-C 108.786 -0.82 . . . . 74.409999999999997 108.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.68 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.1 mt -104.29 122.38 45.29 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 108.346 -0.983 . . . . 74.120000000000005 108.346 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.481 ' HB3' HH21 ' B' ' 106' ' ' ARG . 21.1 p -126.68 143.35 51.26 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.56 -1.274 . . . . 75.450000000000003 107.56 171.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.2 t -136.83 153.27 50.84 Favored 'General case' 0 N--CA 1.406 -2.638 0 C-N-CA 118.691 -1.204 . . . . 54.340000000000003 111.511 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 102' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.933 0 CA-C-N 115.484 -0.78 . . . . 72.349999999999994 110.29 175.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 109.316 -0.624 . . . . 65.349999999999994 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -130.06 112.16 13.19 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.222 -0.658 . . . . 72.439999999999998 109.222 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -122.0 168.19 12.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.792 -1.188 . . . . 71.340000000000003 107.792 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -159.47 134.19 7.93 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.717 0.294 . . . . 74.329999999999998 111.189 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.638 ' SG ' HD23 ' B' ' 129' ' ' LEU . 25.3 m -83.42 120.38 25.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.911 -0.774 . . . . 62.43 108.911 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -138.36 160.79 38.59 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.565 -0.854 . . . . 74.409999999999997 111.276 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.501 HG21 ' NE ' ' A' ' 25' ' ' ARG . 21.1 p -92.84 5.12 52.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 113.164 0.801 . . . . 72.400000000000006 113.164 -174.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.33 -148.95 4.86 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.908 -1.139 . . . . 62.409999999999997 111.435 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -97.77 161.03 13.95 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 120.787 0.327 . . . . 74.040000000000006 110.365 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 p -125.6 168.6 13.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.903 -1.147 . . . . 73.5 107.903 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.3 65.13 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 118.226 0.466 . . . . 71.200000000000003 110.467 -172.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -80.96 88.46 5.91 Favored 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.101 -1.814 . . . . 71.239999999999995 106.101 167.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -80.0 154.43 28.21 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.372 -0.83 . . . . 75.439999999999998 109.044 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 69.69 12.44 8.06 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 122.77 1.271 . . . . 72.209999999999994 110.299 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -90.89 12.65 18.8 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.819 -1.082 . . . . 74.540000000000006 108.183 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD23 HG12 ' A' ' 19' ' ' VAL . 4.0 tt -77.2 112.36 13.81 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 105.598 -2.001 . . . . 72.420000000000002 105.598 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -113.72 -10.55 13.04 Favored 'General case' 0 C--N 1.27 -2.865 0 CA-C-N 113.984 -1.462 . . . . 75.120000000000005 111.19 -172.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.19 164.03 34.37 Favored Glycine 0 N--CA 1.408 -3.173 0 N-CA-C 109.816 -1.313 . . . . 64.120000000000005 109.816 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG12 HD23 ' A' ' 16' ' ' LEU . 27.2 m -139.92 159.75 26.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 121.166 0.508 . . . . 73.25 109.912 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 p -147.35 126.04 12.59 Favored 'General case' 0 C--N 1.27 -2.87 0 CA-C-N 115.176 -0.92 . . . . 53.340000000000003 109.31 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.9 120.68 38.73 Favored 'General case' 0 N--CA 1.405 -2.694 0 N-CA-C 107.729 -1.211 . . . . 65.109999999999999 107.729 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mt -133.97 126.59 50.55 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 114.426 -1.261 . . . . 74.540000000000006 108.287 -173.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 p 55.96 31.7 18.42 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.294 1.438 . . . . 74.200000000000003 112.26 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.06 20.47 79.32 Favored Glycine 0 CA--C 1.504 -0.621 0 N-CA-C 111.856 -0.498 . . . . 74.219999999999999 111.856 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' NE ' HG21 ' A' ' 7' ' ' THR . 66.5 ttt180 -127.56 138.8 52.99 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.693 -1.595 . . . . 72.400000000000006 106.693 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -93.91 129.24 40.42 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.599 -0.841 . . . . 75.439999999999998 111.463 -174.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CZ ' HD11 ' B' ' 122' ' ' ILE . 83.2 m-85 -111.32 117.13 32.29 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 114.686 -1.143 . . . . 74.319999999999993 109.719 176.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -97.98 144.45 27.49 Favored 'General case' 0 CA--C 1.471 -2.061 0 N-CA-C 108.959 -0.756 . . . . 75.0 108.959 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.7 mt -108.55 108.21 19.02 Favored 'General case' 0 N--CA 1.403 -2.824 0 CA-C-N 115.546 -0.752 . . . . 75.430000000000007 109.302 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' SER . 27.1 p -112.27 138.51 48.87 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.195 -1.039 . . . . 65.329999999999998 108.195 172.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 t -143.63 156.31 44.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 119.713 -0.795 . . . . 72.109999999999999 111.417 -167.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.255 1.351 0 CA-C-N 115.672 -0.695 . . . . 63.219999999999999 109.707 -178.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.124 -0.324 . . . . 74.310000000000002 110.124 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 87.0 m -137.36 112.06 8.81 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.778 -0.823 . . . . 74.329999999999998 108.778 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 31.7 m -124.04 164.84 18.57 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.774 -1.195 . . . . 70.099999999999994 107.774 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -156.52 143.66 18.9 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.628 0.251 . . . . 73.530000000000001 110.926 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.696 ' SG ' HD21 ' A' ' 29' ' ' LEU . 49.1 m -79.77 113.16 17.71 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.502 -0.772 . . . . 74.519999999999996 109.138 -177.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.833 ' HD3' ' SG ' ' B' ' 130' ' ' CYS . 13.2 mtm180 -93.75 151.54 19.55 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 107.935 -1.135 . . . . 74.340000000000003 107.935 -178.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 40.8 p -103.75 13.71 32.49 Favored 'General case' 0 C--N 1.269 -2.927 0 CA-C-O 122.485 1.136 . . . . 74.0 109.083 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.52 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -179.06 -102.93 0.16 Allowed Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 113.884 -1.507 . . . . 72.329999999999998 109.386 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -118.8 167.4 11.73 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.26 0.624 . . . . 75.319999999999993 110.553 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.506 ' O ' ' HD3' ' B' ' 113' ' ' ARG . 26.3 p -133.43 163.11 30.09 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 108.485 -0.931 . . . . 75.129999999999995 108.485 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.411 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -73.32 78.92 1.34 Allowed 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.39 0.515 . . . . 64.540000000000006 112.39 -176.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 9.0 t 171.7 -43.39 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.282 1.033 . . . . 74.319999999999993 109.872 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' B' ' 110' ' ' CYS . 0.1 OUTLIER 56.22 -172.99 0.07 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.239 0.615 . . . . 74.5 112.043 -175.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 70.16 -55.7 0.6 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.871 1.268 . . . . 73.540000000000006 111.944 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.3 t -77.68 78.22 4.19 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-O 121.565 0.698 . . . . 72.420000000000002 110.974 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.512 HD23 HG11 ' B' ' 119' ' ' VAL . 4.1 tt -101.04 115.12 29.73 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 103.688 -2.708 . . . . 70.510000000000005 103.688 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.0 p -111.34 -4.82 14.78 Favored 'General case' 0 C--N 1.274 -2.712 0 CA-C-N 115.754 -0.657 . . . . 75.150000000000006 112.583 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 162.84 32.17 Favored Glycine 0 N--CA 1.42 -2.433 0 C-N-CA 120.608 -0.806 . . . . 71.209999999999994 111.367 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.512 HG11 HD23 ' B' ' 116' ' ' LEU . 3.1 m -143.56 143.54 24.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 123.508 0.723 . . . . 73.209999999999994 111.132 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.2 p -146.21 116.25 7.37 Favored 'General case' 0 C--N 1.273 -2.722 0 CA-C-N 114.823 -1.081 . . . . 73.010000000000005 109.621 175.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.459 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -97.61 121.78 39.92 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 108.075 -1.083 . . . . 72.219999999999999 108.075 177.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.49 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 20.2 mt -135.25 130.73 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.94 0 CA-C-N 114.313 -1.312 . . . . 75.230000000000004 108.148 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p 54.78 31.36 15.38 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 125.845 1.658 . . . . 74.299999999999997 112.567 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.66 14.03 78.79 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 120.971 -0.633 . . . . 74.200000000000003 112.768 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.443 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 65.6 ttt180 -122.99 136.73 54.97 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 107.212 -1.403 . . . . 73.430000000000007 107.212 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.99 118.37 31.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 119.551 -0.86 . . . . 71.319999999999993 109.436 -175.516 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 95.6 m-85 -100.71 111.78 24.07 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.318 -0.856 . . . . 72.109999999999999 109.505 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.52 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 62.8 mtt85 -94.8 152.83 18.09 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 116.063 -0.517 . . . . 73.0 109.844 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.638 HD23 ' SG ' ' A' ' 5' ' ' CYS . 55.2 mt -115.65 124.29 50.52 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 108.994 -0.743 . . . . 62.409999999999997 108.994 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.833 ' SG ' ' HD3' ' B' ' 106' ' ' ARG . 29.9 p -124.46 142.39 51.36 Favored 'General case' 0 CA--C 1.474 -1.951 0 N-CA-C 105.152 -2.166 . . . . 72.530000000000001 105.152 170.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 34.3 t -142.31 155.86 45.22 Favored 'General case' 0 N--CA 1.411 -2.421 0 C-N-CA 118.034 -1.466 . . . . 60.240000000000002 111.843 -171.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 N--CA 1.413 -2.3 0 N-CA-C 107.941 -1.133 . . . . 71.540000000000006 107.941 176.216 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 110.173 -0.306 . . . . 74.230000000000004 110.173 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 m -119.1 112.62 19.77 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 107.823 -1.177 . . . . 72.510000000000005 107.823 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.5 m -121.97 164.52 17.47 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.941 -1.503 . . . . 61.399999999999999 106.941 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -154.53 150.84 28.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 118.112 0.415 . . . . 71.349999999999994 111.683 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.712 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.9 m -98.36 120.02 38.04 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 123.876 0.735 . . . . 73.5 109.96 -174.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 14.2 ptp180 -137.02 168.32 19.82 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.784 0.661 . . . . 75.430000000000007 112.784 176.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 67.4 p -87.53 -12.55 45.5 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.962 -0.563 . . . . 75.450000000000003 112.025 -174.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.477 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -146.9 -131.05 2.15 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.022 -1.085 . . . . 62.25 112.846 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -97.84 169.35 9.72 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 122.769 0.428 . . . . 73.239999999999995 110.731 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 8.3 p -135.38 160.43 38.44 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.261 -0.427 . . . . 75.299999999999997 110.08 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.92 79.03 2.15 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.345 0.593 . . . . 60.439999999999998 111.036 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.1 t 174.11 -44.99 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 114.111 -1.404 . . . . 74.150000000000006 108.575 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 60.42 -179.68 0.1 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 123.667 0.787 . . . . 75.200000000000003 111.07 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 70.61 -48.28 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.765 1.226 . . . . 65.030000000000001 113.416 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 31.3 m -73.72 25.77 0.07 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 124.842 1.257 . . . . 72.109999999999999 113.089 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.52 112.96 16.12 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 104.79 -2.3 . . . . 64.209999999999994 104.79 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -115.75 -1.79 12.57 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.827 -1.079 . . . . 63.130000000000003 112.796 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.26 163.49 33.52 Favored Glycine 0 N--CA 1.415 -2.74 0 C-N-CA 120.314 -0.946 . . . . 73.129999999999995 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.01 152.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 C-N-CA 123.196 0.598 . . . . 72.040000000000006 110.176 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.8 p -148.21 119.9 8.05 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.996 -1.002 . . . . 74.109999999999999 109.63 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.41 117.75 32.35 Favored 'General case' 0 N--CA 1.413 -2.275 0 N-CA-C 107.836 -1.172 . . . . 75.150000000000006 107.836 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.453 HG21 ' HH ' ' B' ' 127' ' ' TYR . 59.6 mt -126.92 123.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 CA-C-N 113.44 -1.709 . . . . 75.409999999999997 109.337 -171.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p 51.69 32.09 8.84 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.132 1.373 . . . . 74.439999999999998 113.548 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.93 10.34 64.81 Favored Glycine 0 C--O 1.242 0.618 0 C-N-CA 120.546 -0.835 . . . . 45.520000000000003 112.817 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.1 136.65 54.38 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 108.224 -1.028 . . . . 73.549999999999997 108.224 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -93.53 121.91 35.42 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.724 -0.843 . . . . 75.319999999999993 108.724 -176.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 72.1 m-85 -103.65 123.97 47.97 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 115.681 -0.69 . . . . 75.239999999999995 110.361 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 65.2 mtt85 -102.85 143.4 32.51 Favored 'General case' 0 CA--C 1.464 -2.337 0 CA-C-N 115.293 -0.867 . . . . 75.420000000000002 109.337 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD22 ' SG ' ' B' ' 105' ' ' CYS . 47.2 mt -108.74 107.92 18.55 Favored 'General case' 0 N--CA 1.399 -3.013 0 N-CA-C 107.671 -1.233 . . . . 73.25 107.671 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' SER . 28.1 p -112.53 121.28 44.36 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 107.338 -1.356 . . . . 54.539999999999999 107.338 173.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -109.21 158.41 17.85 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.955 -0.698 . . . . 54.43 110.738 -169.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--O 1.259 1.565 0 CA-C-N 116.334 -0.394 . . . . 75.150000000000006 110.053 -177.775 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.275 -0.639 . . . . 43.130000000000003 109.275 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 42.4 m -123.44 111.34 16.22 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 108.79 -0.819 . . . . 73.510000000000005 108.79 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 33.9 m -125.62 165.84 17.81 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.638 -1.615 . . . . 72.420000000000002 106.638 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -160.35 153.98 22.45 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 118.311 0.505 . . . . 72.420000000000002 111.9 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.745 ' SG ' HD22 ' A' ' 29' ' ' LEU . 32.2 m -94.52 110.49 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.606 -0.724 . . . . 73.030000000000001 110.439 -174.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.538 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.318 2.9 ppt_? -116.64 136.19 53.17 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 114.895 1.443 . . . . 73.129999999999995 114.895 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 76.3 p -78.04 -1.91 34.62 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.761 -1.563 . . . . 72.310000000000002 112.355 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.93 -98.26 0.15 Allowed Glycine 0 CA--C 1.472 -2.604 0 N-CA-C 109.307 -1.517 . . . . 73.540000000000006 109.307 -175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.464 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.4 ptt180 -124.92 178.34 5.56 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 116.928 0.364 . . . . 72.329999999999998 110.215 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.495 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 7.5 p -140.95 148.03 39.74 Favored 'General case' 0 C--O 1.248 1.026 0 N-CA-C 108.962 -0.755 . . . . 75.420000000000002 108.962 174.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.61 78.4 1.99 Allowed 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.965 0.888 . . . . 63.140000000000001 112.132 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.8 t 177.68 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 113.958 -1.473 . . . . 75.430000000000007 107.584 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 53.44 -164.13 0.09 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 123.735 0.814 . . . . 70.540000000000006 111.521 177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 71.99 -48.03 0.67 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.893 1.277 . . . . 74.540000000000006 113.366 173.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.5 t -102.85 88.62 3.24 Favored 'General case' 0 N--CA 1.418 -2.07 0 CA-C-O 121.445 0.641 . . . . 62.329999999999998 111.555 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.477 HD22 HG12 ' B' ' 119' ' ' VAL . 3.5 tt -99.87 117.03 33.32 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 103.647 -2.723 . . . . 72.420000000000002 103.647 169.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.7 p -107.95 -7.35 16.23 Favored 'General case' 0 C--N 1.278 -2.541 0 N-CA-C 113.76 1.022 . . . . 60.450000000000003 113.76 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.32 163.58 32.94 Favored Glycine 0 N--CA 1.424 -2.162 0 C-N-CA 120.235 -0.983 . . . . 71.310000000000002 110.937 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.477 HG12 HD22 ' B' ' 116' ' ' LEU . 6.3 m -137.68 146.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.463 0.649 . . . . 74.400000000000006 110.768 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.1 p -146.87 117.72 7.64 Favored 'General case' 0 C--N 1.27 -2.878 0 CA-C-N 114.965 -1.016 . . . . 65.019999999999996 109.737 175.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.23 121.05 38.68 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.097 -1.446 . . . . 62.130000000000003 107.097 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.452 HD12 ' CE2' ' A' ' 27' ' ' TYR . 34.9 mt -131.76 124.82 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 0 CA-C-N 114.244 -1.344 . . . . 73.510000000000005 108.615 -172.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p 54.26 31.58 14.49 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 125.59 1.556 . . . . 60.009999999999998 113.068 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.63 18.42 61.91 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.754 -0.736 . . . . 62.210000000000001 112.609 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -127.88 136.87 51.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.236 -1.024 . . . . 73.340000000000003 108.236 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 121.32 35.39 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 119.758 -0.777 . . . . 75.310000000000002 109.584 -176.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.453 ' HH ' HG21 ' A' ' 22' ' ' ILE . 80.9 m-85 -103.67 113.84 27.66 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 115.416 -0.811 . . . . 74.230000000000004 109.793 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.451 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 58.8 mtt85 -97.98 142.72 29.35 Favored 'General case' 0 CA--C 1.472 -2.028 0 N-CA-C 108.186 -1.042 . . . . 74.239999999999995 108.186 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.712 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.6 mt -105.0 126.21 51.81 Favored 'General case' 0 C--N 1.262 -3.204 0 N-CA-C 108.382 -0.969 . . . . 73.299999999999997 108.382 -178.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.538 ' HB3' HH21 ' B' ' 106' ' ' ARG . 11.5 p -129.04 142.88 50.76 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 108.438 -0.949 . . . . 74.200000000000003 108.438 173.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 5.5 t -126.47 147.57 49.8 Favored 'General case' 0 N--CA 1.404 -2.772 0 N-CA-C 108.648 -0.871 . . . . 74.129999999999995 108.648 -174.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.304 -1.376 0 O-C-N 123.175 0.297 . . . . 75.049999999999997 111.253 -174.781 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 109.45 -0.574 . . . . 74.519999999999996 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.48 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 34.3 m -109.57 110.6 21.72 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.267 -1.012 . . . . 73.030000000000001 108.267 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' B' ' 117' ' ' SER . 7.2 m -132.03 160.34 36.16 Favored 'General case' 0 N--CA 1.418 -2.033 0 N-CA-C 105.065 -2.198 . . . . 74.5 105.065 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -157.69 151.77 24.44 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 118.203 0.456 . . . . 72.430000000000007 111.405 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.672 ' SG ' HD23 ' B' ' 129' ' ' LEU . 28.1 m -87.3 94.64 9.73 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 124.119 0.887 . . . . 74.030000000000001 110.128 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 12.5 ptt180 -93.0 139.38 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.378 -0.374 . . . . 75.510000000000005 111.545 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.03 0.36 53.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.227 -0.442 . . . . 51.140000000000001 111.159 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -156.29 -117.25 0.55 Allowed Glycine 0 N--CA 1.422 -2.286 0 N-CA-C 110.713 -0.955 . . . . 53.549999999999997 110.713 -174.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 38.7 ptt180 -111.4 177.81 4.54 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 116.989 0.394 . . . . 71.409999999999997 110.709 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 p -146.24 169.03 19.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.229 -1.767 . . . . 54.5 106.229 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -22.2 62.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.759 0.709 . . . . 60.539999999999999 110.269 -174.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -84.56 77.29 10.06 Favored 'General case' 0 N--CA 1.417 -2.117 0 CA-C-O 123.09 1.424 . . . . 72.5 108.414 170.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' SER . 25.5 mmm180 -70.23 153.63 42.86 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.471 -1.24 . . . . 74.430000000000007 110.735 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 73.58 -17.08 0.45 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.773 1.229 . . . . 72.219999999999999 111.585 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 13' ' ' ARG . 23.1 t -85.79 75.13 10.09 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 122.212 1.006 . . . . 71.319999999999993 110.46 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD22 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -101.8 114.46 28.55 Favored 'General case' 0 N--CA 1.415 -2.212 0 N-CA-C 105.92 -1.881 . . . . 64.200000000000003 105.92 172.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -102.88 -15.78 16.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.837 -1.074 . . . . 73.129999999999995 111.224 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.32 34.7 Favored Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 110.732 -0.947 . . . . 51.020000000000003 110.732 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.532 HG13 HD22 ' A' ' 16' ' ' LEU . 4.1 m -143.14 149.58 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.025 0 CA-C-O 121.567 0.699 . . . . 74.25 112.531 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.1 p -152.93 114.88 4.34 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.062 -1.426 . . . . 74.109999999999999 108.39 173.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -96.67 107.86 20.38 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.797 -1.186 . . . . 71.349999999999994 107.797 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.44 HD12 ' CE2' ' B' ' 127' ' ' TYR . 28.0 mt -125.66 135.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-N 114.706 -1.133 . . . . 74.450000000000003 109.04 -170.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.409 ' HG ' ' C ' ' A' ' 22' ' ' ILE . 63.8 p 52.48 32.86 12.11 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.575 1.15 . . . . 64.340000000000003 113.108 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.17 -2.12 87.6 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.731 -0.747 . . . . 75.299999999999997 112.811 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -108.4 143.04 37.87 Favored 'General case' 0 CA--C 1.454 -2.726 0 CA-C-O 121.12 0.486 . . . . 73.049999999999997 110.445 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.57 111.88 23.64 Favored 'General case' 0 C--N 1.258 -3.381 0 N-CA-C 106.269 -1.752 . . . . 62.5 106.269 178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.478 ' CE2' HD11 ' B' ' 122' ' ' ILE . 81.2 m-85 -93.78 102.63 14.77 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-O 121.8 0.809 . . . . 74.439999999999998 109.756 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 58.1 mtt85 -90.85 146.19 24.14 Favored 'General case' 0 CA--C 1.47 -2.1 0 CA-C-N 114.885 -1.052 . . . . 74.219999999999999 108.32 177.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD12 ' SG ' ' B' ' 105' ' ' CYS . 51.6 mt -109.65 112.64 24.83 Favored 'General case' 0 C--N 1.254 -3.563 0 N-CA-C 108.246 -1.02 . . . . 74.150000000000006 108.246 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.3 p -112.15 137.52 50.11 Favored 'General case' 0 CA--C 1.474 -1.957 0 N-CA-C 108.144 -1.058 . . . . 74.219999999999999 108.144 171.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.4 t -133.13 140.28 47.54 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.603 -0.888 . . . . 71.530000000000001 108.603 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 21.6 ptt180 . . . . . 0 C--N 1.318 -0.764 0 C-N-CA 120.393 -0.523 . . . . 74.420000000000002 111.109 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.525 0 CA-C-O 120.746 0.308 . . . . 55.299999999999997 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.9 m -112.8 111.99 23.16 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.605 -1.257 . . . . 74.230000000000004 107.605 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 47.2 m -118.53 157.8 26.62 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.61 -0.885 . . . . 61.039999999999999 108.61 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.17 137.11 16.27 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 120.992 0.425 . . . . 74.340000000000003 111.986 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 29' ' ' LEU . 25.1 m -81.76 112.04 18.55 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.111 -0.949 . . . . 73.239999999999995 109.404 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.489 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.306 1.0 OUTLIER -118.04 136.26 53.66 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 114.33 1.233 . . . . 65.540000000000006 114.33 179.584 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 40.1 p -83.68 18.74 1.83 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 114.345 -1.298 . . . . 65.150000000000006 111.746 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.78 -114.13 0.3 Allowed Glycine 0 N--CA 1.405 -3.416 0 N-CA-C 109.588 -1.405 . . . . 65.010000000000005 109.588 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.484 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 40.0 ptt180 -115.51 178.6 4.24 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 122.965 0.506 . . . . 71.329999999999998 109.686 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 6.1 p -145.67 169.05 19.23 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.131 -1.803 . . . . 73.439999999999998 106.131 176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.11 -20.36 63.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 119.292 0.951 . . . . 74.230000000000004 110.681 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 5.8 t -86.25 93.39 9.05 Favored 'General case' 0 N--CA 1.428 -1.559 0 N-CA-C 107.745 -1.206 . . . . 74.299999999999997 107.745 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -87.34 -20.36 26.87 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.31 -0.859 . . . . 74.109999999999999 111.741 -174.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -83.6 3.24 33.53 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.542 -0.299 . . . . 72.049999999999997 110.71 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.8 t -129.83 84.88 2.25 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 113.777 1.029 . . . . 70.319999999999993 113.777 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.466 HD22 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -101.97 112.63 25.34 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 104.65 -2.352 . . . . 73.219999999999999 104.65 165.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.418 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 14.8 m -101.27 -17.57 16.51 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 115.49 -0.777 . . . . 61.030000000000001 111.842 -171.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.88 35.13 Favored Glycine 0 N--CA 1.425 -2.095 0 C-N-CA 120.763 -0.732 . . . . 54.329999999999998 111.291 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.466 HG13 HD22 ' B' ' 116' ' ' LEU . 3.6 m -137.24 144.18 32.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 123.185 0.594 . . . . 74.340000000000003 111.029 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 8.0 p -145.61 119.05 9.02 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.112 -0.949 . . . . 63.119999999999997 109.764 175.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.423 ' HB2' HD21 ' B' ' 126' ' ' LEU . 0.2 OUTLIER -97.95 122.23 40.82 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.838 -1.171 . . . . 73.420000000000002 107.838 178.555 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.478 HD11 ' CE2' ' A' ' 27' ' ' TYR . 23.0 mt -134.98 128.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.123 0 CA-C-N 114.517 -1.219 . . . . 73.420000000000002 107.752 -173.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 80.1 p 54.98 31.81 16.8 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 125.448 1.499 . . . . 65.010000000000005 112.543 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 82.94 4.58 89.95 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 120.864 -0.684 . . . . 64.239999999999995 112.292 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -112.93 136.84 52.14 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.338 -1.356 . . . . 65.239999999999995 107.338 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.4 123.77 38.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 119.307 -0.957 . . . . 75.540000000000006 109.354 -176.52 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.44 ' CE2' HD12 ' A' ' 22' ' ' ILE . 83.5 m-85 -106.07 109.12 20.96 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.471 -0.786 . . . . 65.239999999999995 109.949 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.403 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.7 mtt85 -93.53 147.26 23.15 Favored 'General case' 0 CA--C 1.481 -1.688 0 N-CA-C 108.962 -0.755 . . . . 74.120000000000005 108.962 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.672 HD23 ' SG ' ' A' ' 5' ' ' CYS . 64.7 mt -109.98 120.34 42.16 Favored 'General case' 0 C--N 1.274 -2.713 0 CA-C-N 115.844 -0.616 . . . . 74.230000000000004 109.513 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.489 ' HB3' HH21 ' B' ' 106' ' ' ARG . 3.5 p -117.34 137.27 52.56 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.617 -0.882 . . . . 70.510000000000005 108.617 170.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 17.1 t -139.3 150.32 45.28 Favored 'General case' 0 N--CA 1.404 -2.77 0 C-N-CA 119.329 -0.949 . . . . 73.019999999999996 110.592 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -2.024 0 CA-C-N 114.738 -1.119 . . . . 71.420000000000002 109.97 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.416 0 N-CA-C 109.107 -0.701 . . . . 72.329999999999998 109.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.402 ' HB ' ' HG3' ' A' ' 32' ' ' ARG . 50.0 m -107.8 111.24 23.31 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 107.893 -1.151 . . . . 71.299999999999997 107.893 176.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -124.18 157.85 33.75 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.095 -1.446 . . . . 74.140000000000001 107.095 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -158.64 148.5 19.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.327 -0.99 . . . . 74.420000000000002 108.327 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.742 ' SG ' HD22 ' B' ' 129' ' ' LEU . 28.9 m -88.48 107.0 18.64 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.632 -0.507 . . . . 71.329999999999998 109.632 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -118.6 160.25 22.13 Favored 'General case' 0 C--O 1.193 -1.869 0 C-N-CA 119.794 -0.762 . . . . 64.319999999999993 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.565 HG22 ' NE ' ' A' ' 25' ' ' ARG . 62.0 p -100.81 8.35 43.25 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 113.184 0.809 . . . . 62.229999999999997 113.184 -173.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.3 -136.49 2.49 Favored Glycine 0 CA--C 1.482 -2.027 0 C-N-CA 118.5 -1.809 . . . . 64.0 112.713 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -97.36 162.47 13.31 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 109.809 -0.441 . . . . 73.310000000000002 109.809 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 p -125.03 171.78 9.97 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.004 -1.48 . . . . 62.140000000000001 107.004 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.75 65.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.139 0.881 . . . . 72.109999999999999 110.614 -171.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' HG21 ' A' ' 12' ' ' THR . 9.0 t -95.55 92.49 6.67 Favored 'General case' 0 N--CA 1.408 -2.569 0 N-CA-C 106.398 -1.704 . . . . 54.549999999999997 106.398 167.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 110.81 7.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.162 -0.681 . . . . 74.450000000000003 109.162 -172.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.327 44.4 mt-10 82.17 76.5 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.15 1.452 . . . . 64.25 113.821 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.6 m -142.06 35.16 1.54 Allowed 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 103.656 -2.72 . . . . 71.400000000000006 103.656 173.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.53 HD21 HG13 ' A' ' 19' ' ' VAL . 3.1 tt -78.8 120.75 23.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 111.933 -2.394 . . . . 74.409999999999997 107.539 -175.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 p -111.54 -6.9 14.35 Favored 'General case' 0 C--N 1.277 -2.577 0 CA-C-N 114.938 -1.028 . . . . 73.420000000000002 111.834 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.43 161.14 30.04 Favored Glycine 0 N--CA 1.426 -1.991 0 N-CA-C 110.275 -1.13 . . . . 73.109999999999999 110.275 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG13 HD21 ' A' ' 16' ' ' LEU . 2.7 m -139.16 144.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-O 121.307 0.575 . . . . 75.150000000000006 111.708 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.93 118.11 11.3 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 115.009 -0.996 . . . . 72.010000000000005 110.184 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.43 124.05 41.48 Favored 'General case' 0 N--CA 1.41 -2.435 0 N-CA-C 107.271 -1.381 . . . . 73.120000000000005 107.271 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.526 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.6 mt -128.78 114.47 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 115.43 -0.804 . . . . 63.229999999999997 109.148 -174.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 p 53.77 31.25 12.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 126.157 1.783 . . . . 71.420000000000002 113.459 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.48 -10.34 57.76 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.972 -0.632 . . . . 71.120000000000005 113.726 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' NE ' HG22 ' A' ' 7' ' ' THR . 54.1 ttt180 -104.19 130.7 51.95 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.496 -1.668 . . . . 75.299999999999997 106.496 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -94.31 119.67 33.42 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.635 -0.826 . . . . 73.439999999999998 108.96 -174.171 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' OH ' ' HD3' ' A' ' 25' ' ' ARG . 97.1 m-85 -99.96 111.04 23.36 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-N 115.8 -0.636 . . . . 64.430000000000007 109.89 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -92.35 143.1 26.73 Favored 'General case' 0 CA--C 1.477 -1.828 0 C-N-CA 123.84 0.856 . . . . 74.239999999999995 109.754 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.674 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.3 mt -105.73 107.8 18.99 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 107.891 -1.152 . . . . 74.510000000000005 107.891 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.6 115.47 26.49 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.652 -1.61 . . . . 74.420000000000002 106.652 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 t -113.74 147.78 37.65 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-N 115.164 -0.925 . . . . 75.310000000000002 111.019 -166.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HG3' ' HB ' ' A' ' 2' ' ' THR . 17.8 ptm180 . . . . . 0 C--N 1.304 -1.383 0 CA-C-N 115.626 -0.716 . . . . 75.420000000000002 110.006 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.494 -0.558 . . . . 74.219999999999999 109.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 62.4 m -134.5 112.0 10.55 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.055 -1.091 . . . . 73.349999999999994 108.055 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 6.9 m -133.9 168.7 18.28 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.06 -1.459 . . . . 65.140000000000001 107.06 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -159.71 140.25 12.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.243 0.474 . . . . 75.340000000000003 111.932 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.674 ' SG ' HD21 ' A' ' 29' ' ' LEU . 20.3 m -87.79 115.57 25.33 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-N 115.389 -0.823 . . . . 71.209999999999994 109.284 -177.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -140.54 160.43 40.02 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.28 -0.968 . . . . 74.219999999999999 110.994 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.473 HG23 ' NE ' ' B' ' 125' ' ' ARG . 18.5 p -91.02 15.94 10.56 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 112.794 0.664 . . . . 74.409999999999997 112.794 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.01 -146.3 4.3 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 119.946 -1.121 . . . . 72.019999999999996 112.136 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -98.28 160.96 13.94 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-O 121.55 0.691 . . . . 73.310000000000002 110.896 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 55.8 m -125.51 168.19 13.98 Favored 'General case' 0 N--CA 1.394 -3.251 0 CA-C-N 114.669 -1.15 . . . . 72.450000000000003 108.471 -171.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.55 71.8 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.403 -1.332 . . . . 70.140000000000001 107.403 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.2 t -77.11 92.06 3.74 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 107.963 -1.125 . . . . 75.340000000000003 107.963 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -87.54 174.11 8.67 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.038 -0.983 . . . . 72.140000000000001 108.459 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 70.38 -51.21 0.66 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.961 0.905 . . . . 63.200000000000003 111.818 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 35.0 t -79.95 78.9 6.54 Favored 'General case' 0 N--CA 1.415 -2.199 0 CA-C-O 121.566 0.698 . . . . 74.340000000000003 112.701 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.511 HD22 HG12 ' B' ' 119' ' ' VAL . 3.2 tt -99.51 113.57 26.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 103.123 -2.917 . . . . 74.030000000000001 103.123 168.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 m -97.35 -19.6 18.39 Favored 'General case' 0 C--N 1.264 -3.137 0 CA-C-N 114.87 -1.059 . . . . 71.150000000000006 112.254 -168.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.26 164.78 34.85 Favored Glycine 0 N--CA 1.428 -1.846 0 N-CA-C 110.883 -0.887 . . . . 51.329999999999998 110.883 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.511 HG12 HD22 ' B' ' 116' ' ' LEU . 7.6 m -134.51 155.82 39.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 CA-C-O 121.032 0.444 . . . . 72.329999999999998 110.431 173.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 9.9 p -149.67 117.18 6.13 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 114.817 -1.083 . . . . 53.420000000000002 109.039 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.468 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.74 118.74 34.96 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 107.362 -1.347 . . . . 74.030000000000001 107.362 178.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.448 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 37.0 mt -133.69 128.39 54.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 CA-C-N 114.361 -1.291 . . . . 75.310000000000002 108.323 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 68.5 p 56.53 32.32 20.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.243 1.417 . . . . 74.219999999999999 112.91 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 80.28 15.82 77.66 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.421 -0.419 . . . . 74.109999999999999 112.213 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.473 ' NE ' HG23 ' B' ' 107' ' ' THR . 52.2 ttt180 -126.86 135.25 50.72 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.118 -1.438 . . . . 74.450000000000003 107.118 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.08 118.84 32.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.811 -0.756 . . . . 75.230000000000004 109.359 -174.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.526 ' CE2' HD13 ' A' ' 22' ' ' ILE . 86.7 m-85 -101.63 114.75 29.08 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.53 -0.759 . . . . 73.329999999999998 110.038 176.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -91.54 148.72 22.08 Favored 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 109.5 -0.556 . . . . 73.450000000000003 109.5 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.742 HD22 ' SG ' ' A' ' 5' ' ' CYS . 58.3 mt -114.4 106.74 14.66 Favored 'General case' 0 N--CA 1.39 -3.444 0 N-CA-C 106.733 -1.581 . . . . 72.239999999999995 106.733 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 14.6 p -106.48 136.06 46.9 Favored 'General case' 0 C--N 1.263 -3.17 0 N-CA-C 106.733 -1.58 . . . . 62.509999999999998 106.733 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.1 t -132.9 152.52 51.87 Favored 'General case' 0 N--CA 1.404 -2.763 0 C-N-CA 118.555 -1.258 . . . . 74.319999999999993 110.931 -174.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' B' ' 132' ' ' ARG . 14.4 ptm180 . . . . . 0 N--CA 1.433 -1.317 0 CA-C-N 115.036 -0.984 . . . . 74.200000000000003 109.292 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.759 0 N-CA-C 109.041 -0.725 . . . . 63.030000000000001 109.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.2 m -118.98 112.01 19.05 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.568 -0.901 . . . . 74.549999999999997 108.568 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -124.25 165.77 17.05 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.235 -1.765 . . . . 74.109999999999999 106.235 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.484 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 26.8 p90 -158.87 152.63 23.23 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 118.041 0.382 . . . . 74.129999999999995 111.707 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.596 ' SG ' HD22 ' B' ' 129' ' ' LEU . 26.9 m -87.56 109.37 19.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.136 -0.938 . . . . 70.409999999999997 108.81 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 15.3 ptt180 -105.69 150.05 25.83 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 116.051 -0.522 . . . . 74.409999999999997 110.651 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -90.24 -4.79 56.98 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.328 0.585 . . . . 72.439999999999998 111.499 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -162.32 -110.37 0.25 Allowed Glycine 0 N--CA 1.414 -2.809 0 N-CA-C 110.378 -1.089 . . . . 72.439999999999998 110.378 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -98.14 177.82 5.28 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.029 -0.73 . . . . 73.439999999999998 109.029 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 17.5 p -146.46 145.62 30.27 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.141 -1.059 . . . . 63.420000000000002 108.141 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 85.6 1.51 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.606 0.717 . . . . 73.310000000000002 110.733 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t 173.14 -36.13 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 126.204 1.802 . . . . 70.340000000000003 106.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 53.65 -173.92 0.04 OUTLIER 'General case' 0 C--N 1.373 1.595 0 N-CA-C 114.201 1.186 . . . . 75.219999999999999 114.201 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 69.32 -55.46 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.558 1.543 . . . . 63.109999999999999 114.285 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.5 m -80.89 77.0 7.81 Favored 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 112.653 0.612 . . . . 74.319999999999993 112.653 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD21 HG11 ' A' ' 19' ' ' VAL . 4.5 tt -95.7 108.08 20.34 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 104.005 -2.591 . . . . 74.010000000000005 104.005 169.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -111.26 -5.9 14.62 Favored 'General case' 0 C--N 1.266 -3.035 0 CA-C-N 114.64 -1.164 . . . . 75.549999999999997 113.237 -168.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.92 163.64 33.3 Favored Glycine 0 N--CA 1.417 -2.588 0 N-CA-C 110.369 -1.092 . . . . 64.409999999999997 110.369 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 16' ' ' LEU . 11.5 m -142.64 149.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 121.672 0.748 . . . . 72.409999999999997 110.987 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.9 p -146.01 114.97 6.95 Favored 'General case' 0 C--N 1.27 -2.852 0 CA-C-N 114.703 -1.135 . . . . 75.510000000000005 109.496 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HB2' HD21 ' A' ' 26' ' ' LEU . 1.2 tm-20 -96.19 121.37 37.9 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.133 -1.062 . . . . 75.230000000000004 108.133 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.54 HD12 ' CE2' ' B' ' 127' ' ' TYR . 24.8 mt -134.04 127.83 52.13 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-N 114.143 -1.39 . . . . 75.129999999999995 107.89 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.3 p 52.4 32.5 11.31 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 124.857 1.263 . . . . 72.450000000000003 112.924 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 -6.5 83.22 Favored Glycine 0 C--O 1.244 0.748 0 C-N-CA 121.444 -0.408 . . . . 74.510000000000005 113.013 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -103.86 137.22 42.16 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.678 -0.86 . . . . 74.430000000000007 108.678 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.91 117.46 30.13 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 108.589 -0.893 . . . . 75.310000000000002 108.589 -176.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 80.2 m-85 -99.27 115.24 28.69 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-N 115.692 -0.685 . . . . 74.25 109.72 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 69.2 mtt85 -94.07 155.02 17.32 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 115.695 -0.684 . . . . 72.230000000000004 109.209 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.68 HD21 ' SG ' ' B' ' 105' ' ' CYS . 67.4 mt -116.43 126.45 53.45 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 109.236 -0.653 . . . . 71.439999999999998 109.236 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.3 p -128.51 142.27 51.13 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 107.21 -1.404 . . . . 51.200000000000003 107.21 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -131.33 150.27 52.22 Favored 'General case' 0 N--CA 1.415 -2.204 0 C-N-CA 119.003 -1.079 . . . . 74.319999999999993 110.159 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--O 1.256 1.406 0 N-CA-C 109.109 -0.7 . . . . 73.319999999999993 109.109 -178.468 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.503 0.192 . . . . 74.510000000000005 110.801 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.411 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 59.5 m -122.77 112.62 18.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.406 -0.961 . . . . 62.240000000000002 108.406 173.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.09 155.06 28.83 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.053 -1.462 . . . . 55.210000000000001 107.053 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -148.51 137.99 22.01 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.363 -0.535 . . . . 74.409999999999997 112.412 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.68 ' SG ' HD21 ' A' ' 29' ' ' LEU . 35.4 m -79.57 105.88 11.19 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.965 -1.016 . . . . 63.210000000000001 108.808 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.462 ' HG2' ' HB3' ' B' ' 110' ' ' CYS 0.269 0.4 OUTLIER -113.62 141.28 47.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.314 0.857 . . . . 71.540000000000006 113.314 -178.904 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 -2.68 48.01 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.771 -1.104 . . . . 71.049999999999997 112.63 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.515 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -160.43 -105.42 0.2 Allowed Glycine 0 N--CA 1.415 -2.748 0 C-N-CA 120.075 -1.059 . . . . 75.340000000000003 110.655 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -98.72 179.34 4.7 Favored 'General case' 0 C--N 1.281 -2.403 0 N-CA-C 109.222 -0.659 . . . . 74.209999999999994 109.222 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.462 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.3 p -141.62 147.76 38.11 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.627 -0.879 . . . . 74.209999999999994 108.627 169.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.88 87.21 1.3 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.689 0.757 . . . . 72.219999999999999 111.746 -174.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 13.5 t 169.22 -35.13 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 125.782 1.633 . . . . 75.109999999999999 106.661 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 63.67 151.21 0.04 OUTLIER 'General case' 0 C--N 1.364 1.208 0 N-CA-C 114.621 1.341 . . . . 73.420000000000002 114.621 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 46.79 72.91 0.21 Allowed 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.548 -1.206 . . . . 75.209999999999994 113.707 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 53.1 m -155.27 31.07 0.39 Allowed 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.203 -1.362 . . . . 75.400000000000006 107.918 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.481 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.92 118.43 20.93 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.837 -1.172 . . . . 75.129999999999995 107.837 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.6 p -114.61 -8.31 12.72 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.596 -1.184 . . . . 72.319999999999993 112.587 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.94 163.61 33.24 Favored Glycine 0 N--CA 1.437 -1.295 0 N-CA-C 110.74 -0.944 . . . . 74.099999999999994 110.74 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.481 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -141.54 145.42 24.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.282 0.563 . . . . 60.43 111.748 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 7.3 p -145.03 116.9 8.23 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 114.922 -1.035 . . . . 65.540000000000006 109.077 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -97.35 108.31 21.01 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.471 -0.937 . . . . 63.310000000000002 108.471 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.432 HD12 ' CE2' ' A' ' 27' ' ' TYR . 28.8 mt -121.46 128.71 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 115.056 -0.975 . . . . 73.099999999999994 109.015 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.8 p 56.12 32.32 19.89 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.606 1.562 . . . . 74.409999999999997 113.144 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.05 -0.46 89.01 Favored Glycine 0 C--N 1.321 -0.299 0 C-N-CA 121.21 -0.519 . . . . 72.25 112.651 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.5 ttm180 -107.56 136.62 47.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 107.665 -1.235 . . . . 64.430000000000007 107.665 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.95 119.14 32.45 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 108.266 -1.013 . . . . 71.430000000000007 108.266 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.54 ' CE2' HD12 ' A' ' 22' ' ' ILE . 77.8 m-85 -98.97 107.17 19.54 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-N 115.803 -0.635 . . . . 75.340000000000003 110.26 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 73.0 mtt85 -92.13 143.67 26.21 Favored 'General case' 0 CA--C 1.478 -1.826 0 CA-C-N 115.446 -0.797 . . . . 72.439999999999998 109.115 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.596 HD22 ' SG ' ' A' ' 5' ' ' CYS . 57.3 mt -107.44 132.05 53.62 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.896 -0.593 . . . . 74.219999999999999 109.555 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.444 ' HB3' HH21 ' B' ' 106' ' ' ARG . 7.5 p -133.17 141.94 48.37 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.727 -1.583 . . . . 73.409999999999997 106.727 169.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -132.37 157.98 43.12 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 118.602 -1.239 . . . . 74.409999999999997 111.384 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.411 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 16.4 ptm180 . . . . . 0 N--CA 1.423 -1.795 0 C-N-CA 124.169 0.988 . . . . 73.420000000000002 108.767 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 108.468 -0.938 . . . . 75.430000000000007 108.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.51 111.38 17.62 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 108.758 -0.83 . . . . 75.239999999999995 108.758 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 m -125.27 157.18 37.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 105.751 -1.944 . . . . 55.030000000000001 105.751 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -153.27 147.79 26.08 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 120.752 0.311 . . . . 74.510000000000005 110.483 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.65 ' SG ' HD23 ' B' ' 129' ' ' LEU . 32.6 m -86.52 103.14 14.76 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.381 -0.827 . . . . 73.439999999999998 108.807 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.533 HH11 ' HA ' ' A' ' 9' ' ' ARG . 12.8 ptt180 -91.84 145.0 24.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.991 0.424 . . . . 74.200000000000003 110.893 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -96.32 13.35 27.94 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.379 -0.828 . . . . 52.509999999999998 110.571 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.85 -111.41 0.25 Allowed Glycine 0 N--CA 1.417 -2.574 0 N-CA-C 109.707 -1.357 . . . . 44.240000000000002 109.707 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HA ' HH11 ' A' ' 6' ' ' ARG . 15.4 ptt180 -111.63 178.59 4.28 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.766 -0.457 . . . . 72.140000000000001 109.766 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.523 ' C ' ' H ' ' A' ' 12' ' ' THR . 9.5 p -144.71 165.82 26.98 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.834 -0.802 . . . . 63.140000000000001 108.834 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.4 29.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.891 0.853 . . . . 72.340000000000003 111.202 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.0 t -157.86 41.7 0.29 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.307 -1.738 . . . . 63.0 106.307 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -58.77 150.46 23.66 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.999 -1.0 . . . . 74.430000000000007 110.73 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 78.13 1.44 2.75 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.679 1.191 . . . . 72.340000000000003 112.33 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -103.26 38.75 1.7 Allowed 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 105.687 -1.968 . . . . 71.319999999999993 105.687 171.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 HG12 ' A' ' 19' ' ' VAL . 4.1 tt -78.78 119.35 21.87 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 106.514 -1.662 . . . . 74.549999999999997 106.514 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -106.2 -12.34 15.76 Favored 'General case' 0 C--N 1.273 -2.743 0 CA-C-N 114.955 -1.02 . . . . 61.450000000000003 112.792 -172.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.46 163.68 33.68 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 111.423 -0.671 . . . . 65.450000000000003 111.423 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.524 HG12 HD21 ' A' ' 16' ' ' LEU . 7.2 m -139.87 147.82 23.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-O 121.098 0.475 . . . . 75.040000000000006 111.235 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.8 p -147.01 119.88 8.7 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 114.611 -1.177 . . . . 64.219999999999999 109.047 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.24 108.51 21.25 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.031 -1.47 . . . . 75.230000000000004 107.031 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.401 HD12 ' CZ ' ' B' ' 127' ' ' TYR . 35.7 mt -124.23 133.27 69.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 108.24 -1.022 . . . . 74.530000000000001 108.24 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p 54.17 32.26 15.59 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.425 1.09 . . . . 61.119999999999997 111.873 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.06 -17.32 33.02 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.767 -0.651 . . . . 60.140000000000001 113.371 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.465 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 40.4 ttm180 -89.58 137.77 32.04 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.771 -0.826 . . . . 75.019999999999996 108.771 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 117.54 30.25 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.264 -1.013 . . . . 64.439999999999998 108.264 -177.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CE2' HD11 ' B' ' 122' ' ' ILE . 83.8 m-85 -97.11 116.01 28.54 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.122 -0.945 . . . . 62.310000000000002 109.597 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 68.4 mtt85 -102.69 143.83 31.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 108.567 -0.901 . . . . 74.430000000000007 108.567 177.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD21 ' SG ' ' B' ' 105' ' ' CYS . 48.4 mt -107.5 124.67 50.23 Favored 'General case' 0 C--N 1.254 -3.556 0 N-CA-C 108.446 -0.946 . . . . 73.120000000000005 108.446 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 p -129.87 139.66 51.13 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.785 -1.561 . . . . 70.239999999999995 106.785 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -137.19 154.84 50.11 Favored 'General case' 0 N--CA 1.42 -1.955 0 C-N-CA 119.032 -1.067 . . . . 61.119999999999997 111.148 -169.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.449 0 N-CA-C 108.766 -0.827 . . . . 74.420000000000002 108.766 178.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.867 0 N-CA-C 110.469 -0.197 . . . . 42.200000000000003 110.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.453 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 89.4 m -114.6 112.47 22.96 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.32 -0.993 . . . . 63.340000000000003 108.32 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.6 m -118.68 162.8 17.82 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.959 -1.126 . . . . 73.540000000000006 107.959 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -155.49 148.84 24.87 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.656 0.265 . . . . 72.239999999999995 110.786 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.571 ' SG ' HD21 ' A' ' 29' ' ' LEU . 21.5 m -88.53 106.09 18.07 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.308 -0.86 . . . . 71.219999999999999 108.78 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.482 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.7 ptt180 -100.42 145.92 27.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.804 0.335 . . . . 72.420000000000002 111.226 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -88.9 0.5 56.54 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 122.885 0.474 . . . . 74.010000000000005 111.608 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -164.44 -116.19 0.36 Allowed Glycine 0 N--CA 1.421 -2.341 0 N-CA-C 110.419 -1.072 . . . . 64.209999999999994 110.419 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.482 ' HA ' HH11 ' B' ' 106' ' ' ARG . 24.9 ptt180 -104.23 167.83 9.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.361 0.601 . . . . 73.040000000000006 112.036 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' B' ' 113' ' ' ARG . 7.9 p -135.99 166.9 22.26 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.121 -1.437 . . . . 73.329999999999998 107.121 174.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.16 -21.72 61.4 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.585 0.707 . . . . 70.129999999999995 109.867 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.3 t -93.33 33.93 1.19 Allowed 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.381 -0.97 . . . . 75.019999999999996 108.381 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' B' ' 110' ' ' CYS . 53.5 ttp180 -52.75 148.71 7.0 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.382 0.673 . . . . 73.310000000000002 111.192 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 80.33 0.99 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.9 1.28 . . . . 72.340000000000003 112.222 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t -100.38 37.44 1.68 Allowed 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 106.172 -1.788 . . . . 73.420000000000002 106.172 170.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.456 HD23 HG11 ' B' ' 119' ' ' VAL . 4.1 tt -78.38 121.27 24.27 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 105.873 -1.899 . . . . 75.239999999999995 105.873 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.9 p -110.15 -19.39 13.05 Favored 'General case' 0 C--N 1.272 -2.787 0 CA-C-N 114.794 -1.094 . . . . 74.239999999999995 112.868 -172.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.29 164.4 34.85 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.984 -1.246 . . . . 64.200000000000003 109.984 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.456 HG11 HD23 ' B' ' 116' ' ' LEU . 28.4 m -134.75 159.16 41.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-O 121.467 0.651 . . . . 75.409999999999997 111.538 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 4.1 p -147.55 119.64 8.26 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-N 114.469 -1.241 . . . . 62.43 109.499 173.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.403 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.7 tm-20 -97.32 122.16 40.04 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 108.061 -1.088 . . . . 72.120000000000005 108.061 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 27' ' ' TYR . 29.1 mt -134.12 126.16 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.093 0 CA-C-N 114.551 -1.204 . . . . 75.319999999999993 108.592 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.5 p 52.6 32.78 12.31 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 125.249 1.42 . . . . 75.040000000000006 113.159 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.97 80.22 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.867 -0.683 . . . . 62.229999999999997 112.874 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -113.69 138.78 49.74 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.618 -0.882 . . . . 74.409999999999997 108.618 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.436 HD13 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.95 120.24 33.94 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.886 -0.783 . . . . 75.400000000000006 108.886 -177.26 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 83.6 m-85 -101.91 114.68 28.98 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.534 -0.757 . . . . 74.239999999999995 109.623 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.401 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.7 mtt85 -96.75 152.07 19.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.65 -0.705 . . . . 74.430000000000007 109.893 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.65 HD23 ' SG ' ' A' ' 5' ' ' CYS . 57.0 mt -113.91 123.93 50.95 Favored 'General case' 0 C--N 1.271 -2.845 0 N-CA-C 108.706 -0.85 . . . . 74.310000000000002 108.706 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.8 p -129.15 140.43 51.53 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.947 -1.871 . . . . 75.299999999999997 105.947 170.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.26 154.38 50.14 Favored 'General case' 0 N--CA 1.418 -2.067 0 C-N-CA 117.817 -1.553 . . . . 62.219999999999999 112.203 -168.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 1.5 ptm180 . . . . . 0 N--CA 1.417 -2.102 0 CA-C-N 114.904 -1.044 . . . . 72.510000000000005 109.039 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 120.883 0.373 . . . . 73.209999999999994 110.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.05 111.85 18.4 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 106.927 -1.508 . . . . 74.219999999999999 106.927 173.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.55 159.86 29.67 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.918 -1.512 . . . . 72.409999999999997 106.918 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -155.67 149.14 24.92 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 111.553 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.676 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.5 m -87.27 106.61 18.03 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.358 -0.837 . . . . 72.230000000000004 109.46 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HD2' ' HB2' ' A' ' 28' ' ' ARG 0.284 2.8 ppt_? -109.97 136.52 49.12 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 113.453 0.909 . . . . 75.219999999999999 113.453 -179.796 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p -87.48 7.85 27.49 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 114.384 -1.28 . . . . 73.310000000000002 111.864 -172.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.83 -108.64 0.23 Allowed Glycine 0 CA--C 1.459 -3.443 0 N-CA-C 108.305 -1.918 . . . . 75.209999999999994 108.305 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -117.57 178.5 4.37 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 109.622 -0.51 . . . . 65.319999999999993 109.622 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 6.7 p -146.92 166.18 27.52 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.486 -1.302 . . . . 72.150000000000006 107.486 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.16 69.47 5.36 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.64 0.733 . . . . 73.430000000000007 110.526 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 168.95 30.74 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 126.727 2.011 . . . . 54.210000000000001 106.02 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.79 146.18 17.82 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.401 -0.818 . . . . 74.200000000000003 111.333 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.369 0.4 OUTLIER 87.12 -12.64 0.52 Allowed 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 125.141 1.376 . . . . 65.200000000000003 112.48 -173.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -90.71 68.94 6.57 Favored 'General case' 0 N--CA 1.414 -2.232 0 N-CA-C 106.375 -1.713 . . . . 71.319999999999993 106.375 166.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.541 HD23 HG13 ' A' ' 19' ' ' VAL . 3.7 tt -100.27 115.95 31.13 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 105.597 -2.001 . . . . 73.5 105.597 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -103.51 -18.47 14.77 Favored 'General case' 0 C--N 1.267 -3.007 0 CA-C-N 114.756 -1.111 . . . . 73.230000000000004 111.491 -171.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 164.49 34.97 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 110.538 -1.025 . . . . 73.409999999999997 110.538 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.541 HG13 HD23 ' A' ' 16' ' ' LEU . 12.3 m -138.53 156.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-O 121.415 0.626 . . . . 61.100000000000001 111.882 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.3 p -154.0 122.21 6.1 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.473 -1.24 . . . . 63.140000000000001 108.979 175.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.06 120.89 39.25 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.851 -1.166 . . . . 74.230000000000004 107.851 177.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.498 HD12 ' CE2' ' B' ' 127' ' ' TYR . 34.8 mt -134.04 128.0 52.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 CA-C-N 114.863 -1.062 . . . . 74.430000000000007 108.907 -172.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p 54.46 31.96 15.75 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.877 1.671 . . . . 75.200000000000003 113.145 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.54 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.713 -0.756 . . . . 73.25 112.866 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -125.69 142.07 51.7 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 108.465 -0.939 . . . . 74.5 108.465 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.04 122.98 37.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 119.835 -0.746 . . . . 71.129999999999995 109.296 -176.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 84.4 m-85 -103.98 109.09 20.72 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.477 -0.783 . . . . 72.040000000000006 110.305 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.488 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 58.0 mtt85 -96.15 139.46 32.28 Favored 'General case' 0 CA--C 1.487 -1.461 0 N-CA-C 108.332 -0.988 . . . . 72.150000000000006 108.332 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.662 HD21 ' SG ' ' B' ' 105' ' ' CYS . 49.6 mt -105.2 117.09 33.12 Favored 'General case' 0 C--N 1.266 -3.049 0 N-CA-C 109.054 -0.721 . . . . 72.5 109.054 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.6 p -116.1 142.73 46.43 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.186 -1.042 . . . . 64.409999999999997 108.186 173.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 t -136.07 158.6 44.01 Favored 'General case' 0 N--CA 1.411 -2.387 0 C-N-CA 118.97 -1.092 . . . . 73.25 111.125 -172.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.255 1.38 0 CA-C-N 115.324 -0.853 . . . . 73.219999999999999 109.2 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 109.724 -0.473 . . . . 74.299999999999997 109.724 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 56.6 m -116.41 112.29 21.26 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.452 -0.944 . . . . 72.209999999999994 108.452 175.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.3 m -117.16 164.25 15.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.568 -1.271 . . . . 74.030000000000001 107.568 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -158.75 150.6 21.09 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.97 -0.381 . . . . 75.420000000000002 109.97 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.662 ' SG ' HD21 ' A' ' 29' ' ' LEU . 34.0 m -91.39 112.98 25.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 123.777 0.673 . . . . 72.329999999999998 109.87 -175.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' B' ' 127' ' ' TYR . 13.1 ptt180 -106.38 147.94 28.66 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.379 -0.373 . . . . 70.310000000000002 110.864 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 51.9 p -87.93 -7.71 56.75 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.293 0.568 . . . . 64.400000000000006 110.99 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.505 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -162.3 -91.5 0.08 OUTLIER Glycine 0 N--CA 1.414 -2.785 0 N-CA-C 110.524 -1.03 . . . . 53.32 110.524 -176.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -114.28 171.63 7.5 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.389 0.614 . . . . 72.129999999999995 111.76 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.515 ' C ' ' H ' ' B' ' 112' ' ' THR . 15.0 p -147.18 168.64 21.14 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.885 -1.524 . . . . 61.100000000000001 106.885 175.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 26.24 0.06 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.434 0.635 . . . . 73.209999999999994 112.073 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.515 ' H ' ' C ' ' B' ' 110' ' ' CYS . 10.2 t -154.48 44.08 0.52 Allowed 'General case' 0 N--CA 1.423 -1.777 0 N-CA-C 107.005 -1.48 . . . . 64.340000000000003 107.005 177.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 38.1 ttt180 -59.22 149.83 27.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.156 -0.929 . . . . 72.25 109.265 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 113' ' ' ARG 0.288 1.3 mp0 85.83 -19.14 0.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.955 1.302 . . . . 75.450000000000003 112.207 -171.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t -88.81 66.14 7.9 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 107.221 -1.4 . . . . 74.340000000000003 107.221 172.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.506 HD23 HG11 ' B' ' 119' ' ' VAL . 4.2 tt -99.47 123.04 43.39 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.455 -1.683 . . . . 74.200000000000003 106.455 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 p -114.26 -9.5 12.83 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 115.56 -0.745 . . . . 73.430000000000007 112.774 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.42 163.59 33.57 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 111.213 -0.755 . . . . 71.230000000000004 111.213 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.506 HG11 HD23 ' B' ' 116' ' ' LEU . 4.6 m -138.67 144.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 121.567 0.699 . . . . 75.519999999999996 111.688 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.86 114.7 8.58 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.892 -1.049 . . . . 75.400000000000006 109.443 174.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -97.03 108.78 21.58 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 107.039 -1.467 . . . . 74.040000000000006 107.039 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.426 HD13 ' CE2' ' A' ' 27' ' ' TYR . 36.0 mt -118.23 129.57 74.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 CA-C-N 114.825 -1.08 . . . . 75.010000000000005 108.338 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 63.8 p 53.4 32.37 13.74 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.769 1.228 . . . . 62.439999999999998 112.066 -177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.26 -11.17 63.85 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 115.746 -0.661 . . . . 73.329999999999998 113.12 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -95.6 138.69 32.92 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.94 -1.133 . . . . 75.109999999999999 107.94 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.87 122.1 36.01 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 119.184 -1.007 . . . . 73.530000000000001 109.01 -175.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.498 ' CE2' HD12 ' A' ' 22' ' ' ILE . 60.6 m-85 -103.74 109.71 21.53 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 115.539 -0.755 . . . . 74.420000000000002 110.065 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.505 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 65.0 mtt85 -89.89 150.93 21.99 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.651 -0.87 . . . . 75.540000000000006 108.651 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.676 HD21 ' SG ' ' A' ' 5' ' ' CYS . 66.7 mt -112.25 125.33 54.04 Favored 'General case' 0 C--N 1.267 -3.001 0 N-CA-C 108.884 -0.784 . . . . 65.430000000000007 108.884 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.8 p -125.72 132.01 52.45 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 106.823 -1.547 . . . . 74.450000000000003 106.823 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -131.53 151.26 51.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 118.699 -1.2 . . . . 63.109999999999999 111.65 -170.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.448 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 16.1 ptm180 . . . . . 0 N--CA 1.426 -1.646 0 CA-C-O 117.938 -1.03 . . . . 74.219999999999999 108.754 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 109.31 -0.626 . . . . 65.319999999999993 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -112.19 110.87 21.37 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 108.434 -0.95 . . . . 73.319999999999993 108.434 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.7 m -122.52 161.16 24.15 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 106.81 -1.552 . . . . 61.32 106.81 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -154.34 153.63 31.97 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.623 0.249 . . . . 74.230000000000004 110.845 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.682 ' SG ' HD21 ' B' ' 129' ' ' LEU . 23.8 m -94.01 106.39 18.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.408 -0.814 . . . . 61.299999999999997 109.048 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 14.2 ptt180 -99.8 147.92 24.97 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 111.054 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.6 p -90.21 5.59 46.4 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.381 0.61 . . . . 71.420000000000002 111.403 -178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -173.25 -108.73 0.22 Allowed Glycine 0 N--CA 1.424 -2.114 0 N-CA-C 110.295 -1.122 . . . . 75.230000000000004 110.295 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HA ' HH11 ' A' ' 6' ' ' ARG . 16.5 ptt180 -100.94 167.6 10.16 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.098 0.475 . . . . 73.010000000000005 111.361 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 13.1 p -136.27 167.05 22.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.35 -1.352 . . . . 63.350000000000001 107.35 173.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 72.2 1.43 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 118.561 0.619 . . . . 75.25 112.57 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t 178.0 -60.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.79 1.236 . . . . 63.149999999999999 110.742 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 15' ' ' SER . 0.5 OUTLIER 61.69 175.42 0.12 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.901 0.881 . . . . 75.329999999999998 111.123 -172.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 69.14 -33.29 0.24 Allowed 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 123.975 0.91 . . . . 75.540000000000006 112.028 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 13' ' ' ARG . 25.1 p -85.45 32.22 0.57 Allowed 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 125.132 1.373 . . . . 75.329999999999998 111.288 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD23 HG11 ' A' ' 19' ' ' VAL . 4.0 tt -78.27 117.24 19.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.016 -1.846 . . . . 74.299999999999997 106.016 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -109.91 -6.63 15.15 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 114.84 -1.073 . . . . 71.510000000000005 112.145 -172.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.76 163.6 33.35 Favored Glycine 0 N--CA 1.423 -2.221 0 C-N-CA 120.218 -0.992 . . . . 52.039999999999999 111.971 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.528 HG11 HD23 ' A' ' 16' ' ' LEU . 7.4 m -141.69 145.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 123.233 0.613 . . . . 75.319999999999993 111.069 177.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -144.93 121.61 11.15 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.031 -0.986 . . . . 74.25 109.245 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -97.86 110.65 23.18 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.073 -1.084 . . . . 65.25 108.073 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -123.25 135.14 64.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 115.164 -0.926 . . . . 73.209999999999994 108.521 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 52.59 31.84 10.72 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.791 1.237 . . . . 73.329999999999998 111.582 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.24 83.86 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.593 -0.731 . . . . 73.120000000000005 113.217 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -107.67 142.47 37.59 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.926 -1.138 . . . . 74.540000000000006 107.926 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.89 125.95 38.81 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.086 -1.046 . . . . 72.439999999999998 109.424 -176.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 78.7 m-85 -107.04 118.56 37.02 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 115.026 -0.988 . . . . 73.420000000000002 110.142 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.3 mtt85 -100.07 152.25 20.44 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-N 115.318 -0.855 . . . . 72.209999999999994 108.863 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.632 HD23 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.69 126.53 54.98 Favored 'General case' 0 C--N 1.268 -2.948 0 N-CA-C 109.177 -0.675 . . . . 74.409999999999997 109.177 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.24 142.02 48.33 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.86 -1.904 . . . . 62.32 105.86 171.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -127.93 148.77 50.51 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 118.609 -1.236 . . . . 72.329999999999998 110.715 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--N 1.308 -1.203 0 CA-C-N 115.612 -0.722 . . . . 75.109999999999999 109.675 -175.874 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.298 -0.26 . . . . 63.329999999999998 110.298 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 88.2 m -132.78 113.14 12.59 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.944 -0.761 . . . . 75.409999999999997 108.944 175.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 11.1 m -130.52 164.05 25.7 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.404 -1.702 . . . . 72.510000000000005 106.404 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.454 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 35.0 p90 -157.54 153.4 26.9 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.478 0.581 . . . . 74.310000000000002 112.153 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.632 ' SG ' HD23 ' A' ' 29' ' ' LEU . 18.3 m -87.22 102.48 14.52 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.084 -0.962 . . . . 71.540000000000006 110.097 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 11.4 ptt180 -101.81 141.26 34.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.763 0.316 . . . . 74.209999999999994 111.071 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 63.4 p -89.36 5.15 46.4 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.409 0.623 . . . . 72.420000000000002 111.313 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.542 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -162.51 -116.3 0.38 Allowed Glycine 0 N--CA 1.427 -1.959 0 N-CA-C 108.885 -1.686 . . . . 71.329999999999998 108.885 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' HA ' HH11 ' B' ' 106' ' ' ARG . 40.1 ptt180 -103.08 177.66 4.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.794 -0.817 . . . . 75.109999999999999 108.794 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.454 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 13.5 p -133.27 150.89 51.9 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.031 -0.729 . . . . 71.230000000000004 109.031 175.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.48 78.71 1.93 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.334 0.588 . . . . 73.549999999999997 111.469 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 10.0 t 163.73 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 126.547 1.939 . . . . 73.319999999999993 106.43 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 63.07 -75.19 0.04 OUTLIER 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.27 1.828 . . . . 72.510000000000005 109.844 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 53.02 -86.26 0.01 OUTLIER 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.165 1.786 . . . . 73.019999999999996 114.053 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.6 t -145.96 130.63 17.95 Favored 'General case' 0 N--CA 1.414 -2.243 0 CA-C-O 121.185 0.517 . . . . 74.150000000000006 111.584 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.544 HD23 HG11 ' B' ' 119' ' ' VAL . 4.2 tt -87.75 116.77 26.13 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.383 -2.451 . . . . 65.349999999999994 104.383 170.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.9 p -107.4 -11.36 15.54 Favored 'General case' 0 C--N 1.273 -2.733 0 N-CA-C 112.969 0.729 . . . . 72.129999999999995 112.969 -172.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.74 163.83 33.71 Favored Glycine 0 N--CA 1.422 -2.257 0 N-CA-C 110.603 -0.999 . . . . 74.019999999999996 110.603 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.544 HG11 HD23 ' B' ' 116' ' ' LEU . 9.6 m -137.02 150.3 26.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 CA-C-O 121.619 0.723 . . . . 75.120000000000005 110.859 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 7.9 p -148.47 121.14 8.61 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 114.729 -1.123 . . . . 71.430000000000007 109.169 175.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.431 ' HB2' HD23 ' B' ' 126' ' ' LEU . 1.6 tm-20 -97.77 119.2 35.93 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.959 -1.126 . . . . 63.009999999999998 107.959 177.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 30.8 mt -135.87 136.21 50.13 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 N-CA-C 107.144 -1.428 . . . . 75.430000000000007 107.144 -172.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.4 p 53.03 31.45 11.12 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 124.729 1.212 . . . . 72.420000000000002 112.253 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.04 11.54 84.71 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.681 -0.771 . . . . 71.519999999999996 112.574 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -120.53 141.15 50.52 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.769 -1.197 . . . . 73.150000000000006 107.769 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.85 125.97 38.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 119.358 -0.937 . . . . 64.299999999999997 109.013 -176.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 78.3 m-85 -108.13 113.99 27.54 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 115.147 -0.933 . . . . 71.310000000000002 110.434 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.445 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 72.0 mtt85 -96.17 147.07 24.14 Favored 'General case' 0 CA--C 1.475 -1.92 0 N-CA-C 108.223 -1.029 . . . . 74.430000000000007 108.223 176.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.682 HD21 ' SG ' ' A' ' 5' ' ' CYS . 59.3 mt -108.63 120.13 41.55 Favored 'General case' 0 C--N 1.253 -3.606 0 N-CA-C 108.442 -0.947 . . . . 74.409999999999997 108.442 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 24.5 p -116.55 142.46 46.86 Favored 'General case' 0 CA--C 1.48 -1.736 0 N-CA-C 106.713 -1.588 . . . . 61.149999999999999 106.713 172.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.83 145.86 44.96 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 118.687 -1.205 . . . . 72.140000000000001 109.882 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 118.232 -0.89 . . . . 74.420000000000002 110.343 -178.429 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.647 0 N-CA-C 109.687 -0.486 . . . . 74.420000000000002 109.687 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 111.92 11.08 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 109.668 -0.493 . . . . 73.230000000000004 109.668 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.7 m -128.61 167.06 17.71 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 106.666 -1.605 . . . . 62.109999999999999 106.666 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.446 ' HH ' ' HB2' ' A' ' 10' ' ' CYS . 25.6 p90 -160.23 157.55 28.42 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 117.856 0.298 . . . . 70.430000000000007 110.813 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.654 ' SG ' HD23 ' B' ' 129' ' ' LEU . 31.0 m -94.72 100.26 12.21 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.001 -0.74 . . . . 61.049999999999997 109.001 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.809 ' HD3' ' SG ' ' A' ' 30' ' ' CYS . 15.8 ptt180 -91.75 147.07 23.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.056 -0.72 . . . . 74.109999999999999 109.056 -178.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.3 p -90.5 4.54 50.83 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 120.838 0.351 . . . . 71.129999999999995 111.906 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.49 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -169.35 -87.3 0.07 OUTLIER Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.495 -0.859 . . . . 64.439999999999998 110.964 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.531 ' C ' ' HD2' ' A' ' 6' ' ' ARG . 39.7 ptt180 -124.95 174.14 8.18 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.357 -0.609 . . . . 75.349999999999994 109.357 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB2' ' HH ' ' A' ' 4' ' ' TYR . 23.3 p -146.31 169.77 18.13 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.453 -1.314 . . . . 70.510000000000005 107.453 177.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.0 -25.08 64.33 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.738 -0.468 . . . . 71.420000000000002 109.738 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.439 ' O ' HG21 ' A' ' 12' ' ' THR . 9.6 t -86.84 82.75 7.71 Favored 'General case' 0 N--CA 1.418 -2.028 0 N-CA-C 107.362 -1.347 . . . . 62.25 107.362 169.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -60.94 123.76 18.52 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 114.277 1.214 . . . . 73.129999999999995 114.277 -173.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 16' ' ' LEU . 7.4 mm-40 59.49 23.57 12.19 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 113.32 -1.764 . . . . 75.099999999999994 115.428 176.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -83.5 46.3 1.14 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.391 -1.337 . . . . 74.239999999999995 107.391 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD21 HG11 ' A' ' 19' ' ' VAL . 3.8 tt -80.11 122.98 27.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 125.376 1.47 . . . . 72.310000000000002 108.267 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -116.91 -7.24 11.43 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.811 -1.086 . . . . 74.430000000000007 112.159 -175.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.21 164.27 34.7 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 110.967 -0.853 . . . . 74.510000000000005 110.967 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 HD21 ' A' ' 16' ' ' LEU . 5.2 m -143.23 153.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.591 0.71 . . . . 74.129999999999995 111.867 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -153.62 117.71 4.81 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 114.706 -1.134 . . . . 73.219999999999999 109.566 175.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.0 119.37 35.34 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 107.946 -1.131 . . . . 54.5 107.946 178.291 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mt -132.27 126.29 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.191 0 CA-C-N 114.18 -1.373 . . . . 74.030000000000001 108.428 -172.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 54.25 32.53 16.31 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 125.468 1.507 . . . . 53.149999999999999 113.497 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.65 79.13 Favored Glycine 0 C--O 1.239 0.41 0 C-N-CA 121.259 -0.496 . . . . 54.149999999999999 112.892 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -108.83 137.29 46.99 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.482 -0.932 . . . . 75.5 108.482 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.03 116.58 29.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.345 -0.983 . . . . 65.510000000000005 108.345 -176.221 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 83.9 m-85 -96.01 115.05 26.83 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.661 -0.7 . . . . 73.030000000000001 110.113 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 62.5 mtt85 -100.69 141.76 33.11 Favored 'General case' 0 CA--C 1.47 -2.098 0 CA-C-N 115.306 -0.861 . . . . 75.349999999999994 109.385 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.625 HD23 ' SG ' ' B' ' 105' ' ' CYS . 46.5 mt -105.16 113.78 27.58 Favored 'General case' 0 C--N 1.26 -3.32 0 N-CA-C 108.36 -0.978 . . . . 72.409999999999997 108.36 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.809 ' SG ' ' HD3' ' A' ' 6' ' ' ARG . 13.9 p -119.01 125.16 48.72 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.703 -1.221 . . . . 74.239999999999995 107.703 172.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -116.7 152.76 33.63 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.531 -0.914 . . . . 61.140000000000001 108.531 -173.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 . . . . . 0 C--N 1.315 -0.894 0 C-N-CA 119.397 -0.921 . . . . 72.120000000000005 111.664 -174.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.794 0 CA-C-O 120.976 0.417 . . . . 74.109999999999999 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.433 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 94.4 m -128.37 112.69 14.69 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.795 -0.817 . . . . 55.229999999999997 108.795 172.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.11 162.11 18.73 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 106.743 -1.577 . . . . 75.099999999999994 106.743 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -155.25 146.78 23.04 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 120.592 0.234 . . . . 73.409999999999997 110.479 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.625 ' SG ' HD23 ' A' ' 29' ' ' LEU . 31.8 m -84.82 104.15 14.53 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.444 -0.798 . . . . 54.020000000000003 109.665 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.473 HH11 ' HA ' ' B' ' 109' ' ' ARG . 11.1 ptt180 -97.95 144.23 27.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.285 -0.416 . . . . 73.329999999999998 110.533 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -90.05 0.74 56.97 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.408 0.623 . . . . 61.340000000000003 110.644 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -160.31 -108.51 0.24 Allowed Glycine 0 N--CA 1.417 -2.63 0 N-CA-C 109.703 -1.359 . . . . 73.340000000000003 109.703 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.473 ' HA ' HH11 ' B' ' 106' ' ' ARG . 36.1 ptt180 -116.61 178.11 4.45 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.446 0.641 . . . . 74.340000000000003 111.725 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 9.9 p -144.97 169.9 17.18 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 106.225 -1.769 . . . . 62.25 106.225 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.42 -25.42 64.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.95 0.796 . . . . 74.319999999999993 111.181 -172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 12.1 t -85.84 38.43 0.75 Allowed 'General case' 0 CA--C 1.571 1.764 0 CA-C-O 121.641 0.734 . . . . 74.340000000000003 109.065 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -56.11 92.18 0.01 OUTLIER 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.707 1.203 . . . . 74.409999999999997 110.349 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 171.79 -54.08 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 103.912 -2.625 . . . . 74.109999999999999 103.912 -173.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m -82.53 81.5 8.31 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-N 114.75 -1.114 . . . . 75.409999999999997 112.926 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.554 HD21 HG12 ' B' ' 119' ' ' VAL . 4.0 tt -100.89 113.98 27.43 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 105.405 -2.072 . . . . 61.210000000000001 105.405 170.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 39.4 p -107.79 -7.41 16.33 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.827 -0.624 . . . . 73.25 112.646 -171.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.75 163.52 33.23 Favored Glycine 0 N--CA 1.425 -2.094 0 C-N-CA 120.535 -0.84 . . . . 64.5 111.416 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.554 HG12 HD21 ' B' ' 116' ' ' LEU . 4.5 m -142.12 147.09 21.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 C-N-CA 123.332 0.653 . . . . 72.5 110.866 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 5.7 p -145.13 117.89 8.69 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-N 114.8 -1.091 . . . . 73.319999999999993 109.275 174.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -97.14 108.32 21.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.872 -1.159 . . . . 74.400000000000006 107.872 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.461 HD12 ' CE2' ' A' ' 27' ' ' TYR . 44.1 mt -123.31 131.74 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 CA-C-N 114.5 -1.227 . . . . 74.099999999999994 108.83 -172.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.402 ' HG ' ' C ' ' B' ' 122' ' ' ILE . 59.6 p 53.44 32.26 13.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.616 1.166 . . . . 62.409999999999997 111.706 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.07 -17.85 44.12 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.624 -0.716 . . . . 70.230000000000004 113.116 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -93.7 140.61 29.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 108.982 -0.747 . . . . 64.349999999999994 108.982 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.74 119.21 32.43 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 108.474 -0.935 . . . . 75.109999999999999 108.474 -176.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.407 ' HB2' ' O ' ' B' ' 120' ' ' CYS . 94.4 m-85 -101.68 119.74 39.25 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.368 -0.833 . . . . 75.030000000000001 109.303 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -101.58 154.56 18.75 Favored 'General case' 0 CA--C 1.474 -1.957 0 CA-C-N 116.061 -0.518 . . . . 75.230000000000004 109.681 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.654 HD23 ' SG ' ' A' ' 5' ' ' CYS . 51.9 mt -118.08 125.47 50.37 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 115.761 -0.654 . . . . 75.120000000000005 109.35 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.0 p -123.95 141.16 52.28 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.206 -1.405 . . . . 71.549999999999997 107.206 169.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 6.6 t -140.01 150.98 45.09 Favored 'General case' 0 N--CA 1.423 -1.776 0 C-N-CA 118.369 -1.332 . . . . 75.200000000000003 110.597 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.433 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 26.2 ptt180 . . . . . 0 N--CA 1.433 -1.31 0 CA-C-O 118.547 -0.74 . . . . 74.299999999999997 109.833 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 109.926 -0.398 . . . . 63.509999999999998 109.926 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m -125.25 111.96 15.84 Favored 'General case' 0 N--CA 1.423 -1.803 0 N-CA-C 107.911 -1.144 . . . . 72.329999999999998 107.911 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.56 160.79 27.58 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 105.815 -1.92 . . . . 73.340000000000003 105.815 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.477 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 31.9 p90 -153.92 154.85 34.57 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 118.406 0.548 . . . . 72.319999999999993 112.213 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.697 ' SG ' HD21 ' B' ' 129' ' ' LEU . 21.4 m -91.98 110.52 21.88 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.955 -1.021 . . . . 35.799999999999997 109.227 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -121.21 149.95 42.07 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.358 -0.978 . . . . 73.349999999999994 108.358 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.494 HG21 ' NE ' ' A' ' 25' ' ' ARG . 41.4 p -90.34 11.03 22.63 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 121.269 0.557 . . . . 73.219999999999999 112.374 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -159.4 -115.52 0.41 Allowed Glycine 0 N--CA 1.421 -2.362 0 N-CA-C 110.48 -1.048 . . . . 75.439999999999998 110.48 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 13' ' ' ARG . 36.0 ptt180 -105.66 171.52 7.29 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 109.797 -0.446 . . . . 75.340000000000003 109.797 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 30.4 p -141.16 164.25 30.76 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 120.723 -0.391 . . . . 73.430000000000007 110.39 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.24 82.8 1.36 Allowed 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.433 0.635 . . . . 62.030000000000001 112.218 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 t 166.65 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 126.062 1.745 . . . . 72.109999999999999 107.672 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 9' ' ' ARG . 55.9 mmt-85 60.38 -173.97 0.12 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.911 1.284 . . . . 74.25 111.146 -178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 67.94 -43.04 0.47 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.076 1.88 . . . . 65.209999999999994 116.076 170.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -91.97 90.4 7.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.192 0.52 . . . . 55.210000000000001 111.521 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.51 HD23 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -100.2 109.53 21.77 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 104.616 -2.365 . . . . 75.340000000000003 104.616 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 p -103.98 -9.53 18.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 115.271 -0.877 . . . . 64.519999999999996 112.8 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.01 164.16 34.05 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 110.999 -0.841 . . . . 65.420000000000002 110.999 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.51 HG13 HD23 ' A' ' 16' ' ' LEU . 5.9 m -142.01 145.93 23.4 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.259 0.552 . . . . 74.239999999999995 111.22 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.3 p -144.96 119.48 9.7 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.852 -1.067 . . . . 74.310000000000002 109.47 175.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.25 122.55 40.39 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.709 -1.219 . . . . 63.310000000000002 107.709 178.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.497 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -133.72 128.67 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 CA-C-N 114.338 -1.301 . . . . 75.340000000000003 108.003 -172.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.405 ' HG ' ' C ' ' A' ' 22' ' ' ILE . 75.9 p 51.68 32.05 8.76 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 125.697 1.599 . . . . 73.510000000000005 113.428 -178.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.61 72.25 Favored Glycine 0 C--O 1.241 0.562 0 C-N-CA 120.728 -0.748 . . . . 71.439999999999998 112.574 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' NE ' HG21 ' A' ' 7' ' ' THR . 61.4 ttt180 -127.69 137.92 52.64 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 106.97 -1.492 . . . . 70.109999999999999 106.97 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -94.33 120.51 34.68 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.989 -0.684 . . . . 72.040000000000006 109.866 -173.813 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CZ ' HD12 ' B' ' 122' ' ' ILE . 70.4 m-85 -100.91 116.86 33.77 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.771 -0.65 . . . . 74.109999999999999 110.236 174.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 75.3 mtt85 -96.25 152.96 18.09 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.821 -0.807 . . . . 73.239999999999995 108.821 176.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.67 HD23 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.09 133.05 55.8 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.39 -0.967 . . . . 70.420000000000002 108.39 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 6' ' ' ARG . 28.6 p -133.11 142.84 48.91 Favored 'General case' 0 CA--C 1.479 -1.776 0 N-CA-C 106.182 -1.785 . . . . 64.420000000000002 106.182 173.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -133.85 140.06 46.63 Favored 'General case' 0 N--CA 1.414 -2.259 0 C-N-CA 117.948 -1.501 . . . . 74.519999999999996 111.832 -174.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.256 1.408 0 CA-C-N 114.817 -1.083 . . . . 74.150000000000006 109.561 -178.348 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.422 0 CA-C-O 120.74 0.305 . . . . 63.140000000000001 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.4 m -114.46 111.18 21.01 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 108.279 -1.008 . . . . 74.530000000000001 108.279 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 44.9 m -122.02 158.09 29.92 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.212 -1.403 . . . . 35.799999999999997 107.212 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 45.3 p90 -154.82 146.87 23.63 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.178 0.513 . . . . 72.010000000000005 112.139 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' CYS . . . . . 0.67 ' SG ' HD23 ' A' ' 29' ' ' LEU . 22.8 m -86.13 123.94 31.99 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 114.597 -1.183 . . . . 64.439999999999998 108.332 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.488 ' HD3' ' N ' ' B' ' 106' ' ' ARG . 0.0 OUTLIER -132.98 151.05 52.11 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.392 -0.596 . . . . 75.420000000000002 109.392 178.187 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 38.9 p -85.01 0.12 52.52 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 112.456 0.539 . . . . 74.450000000000003 112.456 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.412 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -154.55 -121.4 0.78 Allowed Glycine 0 N--CA 1.425 -2.096 0 N-CA-C 110.236 -1.145 . . . . 64.040000000000006 110.236 -179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -98.6 178.37 5.02 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.701 -0.852 . . . . 74.049999999999997 108.701 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.402 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 28.1 p -141.91 155.01 45.51 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.361 -0.607 . . . . 71.329999999999998 109.361 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.67 85.89 3.32 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.36 0.6 . . . . 61.119999999999997 111.058 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.7 t 170.37 -39.84 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 125.897 1.679 . . . . 74.519999999999996 106.669 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 53.82 -158.0 0.17 Allowed 'General case' 0 C--N 1.359 1.002 0 CA-C-N 115.191 -0.913 . . . . 74.329999999999998 111.247 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 72.61 -57.64 0.62 Allowed 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 125.421 1.488 . . . . 73.510000000000005 113.532 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.2 t -108.3 88.11 2.65 Favored 'General case' 0 N--CA 1.419 -1.981 0 N-CA-C 113.678 0.992 . . . . 73.319999999999993 113.678 -174.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 tt -90.28 112.01 23.4 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 103.323 -2.843 . . . . 70.120000000000005 103.323 166.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 28.9 p -105.24 -9.39 17.71 Favored 'General case' 0 C--N 1.27 -2.864 0 N-CA-C 113.715 1.006 . . . . 72.430000000000007 113.715 -167.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.19 164.34 34.2 Favored Glycine 0 N--CA 1.419 -2.477 0 C-N-CA 120.334 -0.936 . . . . 53.039999999999999 111.066 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.98 144.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 123.157 0.583 . . . . 72.340000000000003 110.29 175.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.5 p -142.99 117.17 9.52 Favored 'General case' 0 C--N 1.278 -2.53 0 CA-C-N 115.253 -0.885 . . . . 43.530000000000001 109.224 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.51 121.86 39.91 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 107.498 -1.297 . . . . 74.120000000000005 107.498 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' ILE . . . . . 0.417 HD12 ' CZ ' ' A' ' 27' ' ' TYR . 28.4 mt -134.74 131.72 53.76 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 114.385 -1.279 . . . . 72.519999999999996 107.886 -172.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.6 p 53.47 31.27 11.92 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.176 1.39 . . . . 73.200000000000003 113.287 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.48 71.64 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.079 -0.581 . . . . 35.799999999999997 111.652 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ARG . . . . . 0.406 ' HE ' HG23 ' B' ' 107' ' ' THR . 77.5 ttt180 -131.57 136.16 47.58 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.65 -1.611 . . . . 75.430000000000007 106.65 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -94.16 128.28 40.49 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.207 -0.997 . . . . 75.340000000000003 109.64 -175.101 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . 0.497 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.2 m-85 -111.9 106.69 15.47 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.448 -0.796 . . . . 72.549999999999997 110.237 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 54.1 mtt85 -86.95 153.77 21.32 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 108.656 -0.868 . . . . 75.230000000000004 108.656 175.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.697 HD21 ' SG ' ' A' ' 5' ' ' CYS . 70.2 mt -115.94 131.73 56.85 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 109.034 -0.728 . . . . 75.420000000000002 109.034 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 28.2 p -133.38 143.47 48.96 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 106.177 -1.786 . . . . 75.120000000000005 106.177 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.1 t -139.13 152.29 47.35 Favored 'General case' 0 N--CA 1.413 -2.303 0 C-N-CA 118.745 -1.182 . . . . 62.329999999999998 110.669 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.421 -1.883 0 CA-C-O 118.066 -0.969 . . . . 72.040000000000006 108.894 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 109.008 -0.738 . . . . 61.350000000000001 109.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.495 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 41.1 m -118.52 111.98 19.31 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 108.607 -0.886 . . . . 74.129999999999995 108.607 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 m -120.11 163.66 17.35 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.616 -1.253 . . . . 74.120000000000005 107.616 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.96 146.76 22.07 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.726 0.298 . . . . 73.040000000000006 110.95 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.641 ' SG ' HD21 ' B' ' 129' ' ' LEU . 22.1 m -91.37 106.97 18.88 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.397 -0.819 . . . . 71.439999999999998 109.644 -174.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.561 ' NH1' ' HA ' ' A' ' 9' ' ' ARG 0.285 3.0 ppt_? -112.81 143.47 44.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 114.004 1.112 . . . . 61.32 114.004 -179.242 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 35.7 p -84.73 -7.28 59.27 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.222 -0.899 . . . . 63.5 112.725 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.34 -86.67 0.07 OUTLIER Glycine 0 CA--C 1.474 -2.53 0 C-N-CA 120.165 -1.016 . . . . 51.43 111.055 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.561 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 29.2 ptt180 -136.46 174.63 10.41 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 122.634 0.374 . . . . 73.25 110.093 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 8.3 p -142.87 165.19 28.05 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.718 -0.475 . . . . 73.019999999999996 109.718 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.43 82.82 1.45 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.407 0.623 . . . . 63.240000000000002 110.909 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 164.76 -20.55 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 126.099 1.76 . . . . 72.430000000000007 107.218 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 60.32 -96.41 0.06 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.952 1.464 . . . . 62.219999999999999 114.952 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.259 42.1 mt-10 -84.18 77.28 9.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.917 1.342 . . . . 74.400000000000006 113.325 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 33.8 t -139.68 25.32 2.38 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.003 -2.221 . . . . 74.340000000000003 105.003 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 19' ' ' VAL . 3.9 tt -78.07 113.36 15.93 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 106.607 -1.627 . . . . 61.520000000000003 106.607 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -113.4 -4.39 13.63 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.193 -1.367 . . . . 70.340000000000003 112.184 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.55 162.3 31.59 Favored Glycine 0 N--CA 1.428 -1.862 0 N-CA-C 111.121 -0.792 . . . . 75.430000000000007 111.121 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 16' ' ' LEU . 15.9 m -140.37 150.97 21.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.349 0.595 . . . . 63.409999999999997 112.051 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 p -152.44 120.9 6.37 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.912 -1.04 . . . . 64.430000000000007 109.206 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.61 120.46 38.04 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.132 -1.027 . . . . 73.140000000000001 108.373 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.419 HD12 HD12 ' B' ' 122' ' ' ILE . 17.8 mt -136.75 132.17 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.996 0 CA-C-N 114.153 -1.385 . . . . 72.120000000000005 107.61 -173.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 p 53.04 31.99 12.13 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 125.15 1.38 . . . . 61.350000000000001 113.511 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.21 -1.63 80.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.629 -0.796 . . . . 41.299999999999997 112.043 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -111.16 139.85 46.2 Favored 'General case' 0 CA--C 1.457 -2.632 0 CA-C-O 121.304 0.573 . . . . 72.420000000000002 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.57 112.69 24.45 Favored 'General case' 0 C--N 1.263 -3.172 0 N-CA-C 106.909 -1.515 . . . . 55.049999999999997 106.909 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' HD13 ' B' ' 122' ' ' ILE . 69.1 m-85 -93.87 102.1 14.21 Favored 'General case' 0 C--N 1.273 -2.758 0 CA-C-O 122.011 0.91 . . . . 73.219999999999999 110.796 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.0 mtt85 -91.06 138.18 31.8 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.081 -1.418 . . . . 73.140000000000001 108.201 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' SG ' ' B' ' 105' ' ' CYS . 52.4 mt -104.9 127.61 52.79 Favored 'General case' 0 C--N 1.262 -3.221 0 CA-C-N 115.617 -0.72 . . . . 54.310000000000002 109.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' SER . 6.9 p -129.73 142.65 50.67 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.582 -1.266 . . . . 71.239999999999995 107.582 171.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -137.69 164.06 29.76 Favored 'General case' 0 N--CA 1.418 -2.042 0 C-N-CA 118.794 -1.162 . . . . 72.439999999999998 111.002 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 27.3 ptt180 . . . . . 0 C--O 1.257 1.469 0 N-CA-C 108.944 -0.762 . . . . 72.519999999999996 108.944 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.09 -0.337 . . . . 62.240000000000002 110.09 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.425 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 62.1 m -128.38 113.01 15.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.775 -0.824 . . . . 43.140000000000001 108.775 174.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 23.7 m -124.62 166.83 15.42 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 106.15 -1.796 . . . . 74.030000000000001 106.15 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -160.1 156.31 26.61 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 117.953 0.342 . . . . 73.510000000000005 111.105 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.544 ' SG ' HD11 ' A' ' 29' ' ' LEU . 24.4 m -90.44 116.0 28.03 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.589 -0.732 . . . . 33.119999999999997 109.618 -175.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.5 ptt180 -109.79 143.54 39.49 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 116.188 -0.46 . . . . 73.040000000000006 110.656 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 35.8 p -87.29 -3.84 59.05 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.423 0.63 . . . . 73.109999999999999 111.31 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' GLY . . . . . 0.519 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -166.79 -103.9 0.17 Allowed Glycine 0 N--CA 1.419 -2.487 0 N-CA-C 108.748 -1.741 . . . . 62.030000000000001 108.748 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.409 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.3 ptt180 -106.29 166.87 10.22 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.345 -0.542 . . . . 74.209999999999994 110.998 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.257 1.458 0 N-CA-C 107.598 -1.26 . . . . 74.450000000000003 107.598 177.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.429 -1.511 0 N-CA-C 107.411 -1.329 . . . . 63.030000000000001 107.411 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.587 HD21 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -99.76 109.29 21.74 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.53 -1.656 . . . . 75.230000000000004 106.53 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.0 p -107.22 -9.53 16.08 Favored 'General case' 0 C--N 1.269 -2.91 0 CA-C-N 114.163 -1.381 . . . . 64.549999999999997 112.39 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.34 163.93 34.13 Favored Glycine 0 N--CA 1.42 -2.393 0 C-N-CA 120.404 -0.903 . . . . 31.309999999999999 111.059 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.587 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -143.09 143.1 25.34 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 123.367 0.667 . . . . 75.030000000000001 111.259 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.2 p -144.37 122.02 11.83 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 115.031 -0.986 . . . . 74.230000000000004 110.0 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -97.17 114.99 26.75 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.272 -1.381 . . . . 55.020000000000003 107.272 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.498 HD13 ' CE2' ' A' ' 27' ' ' TYR . 22.0 mt -135.62 140.47 44.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 107.387 -1.338 . . . . 74.150000000000006 107.387 -174.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.9 p 53.76 31.82 13.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.719 1.208 . . . . 70.109999999999999 111.744 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.06 8.29 78.33 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.477 -0.783 . . . . 43.439999999999998 113.462 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -116.21 146.22 42.5 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 107.735 -1.209 . . . . 74.5 107.735 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.56 123.22 37.86 Favored 'General case' 0 N--CA 1.432 -1.339 0 C-N-CA 118.895 -1.122 . . . . 64.329999999999998 109.48 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' B' ' 122' ' ' ILE . 97.6 m-85 -103.97 112.94 26.14 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 115.493 -0.776 . . . . 75.349999999999994 109.559 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.7 mtt85 -93.27 153.27 18.68 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 108.953 -0.758 . . . . 54.219999999999999 108.953 176.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.641 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.5 mt -112.24 125.35 54.06 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 108.354 -0.98 . . . . 74.230000000000004 108.354 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.2 134.55 54.71 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.009 -1.108 . . . . 71.439999999999998 108.009 172.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 11.2 t -133.51 159.56 40.04 Favored 'General case' 0 N--CA 1.406 -2.632 0 C-N-CA 119.979 -0.689 . . . . 64.230000000000004 109.271 -173.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.425 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 25.8 ptt180 . . . . . 0 N--CA 1.424 -1.764 0 O-C-N 123.527 0.517 . . . . 71.109999999999999 110.726 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 109.47 -0.567 . . . . 72.040000000000006 109.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m -122.74 112.14 17.57 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.298 -1.001 . . . . 75.340000000000003 108.298 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.1 m -122.36 165.26 16.56 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.924 -1.51 . . . . 75.219999999999999 106.924 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -158.4 151.4 22.62 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 120.547 0.213 . . . . 72.510000000000005 110.904 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.9 m -89.21 105.1 17.57 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 123.939 0.775 . . . . 64.540000000000006 109.703 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.1 ptt180 -99.81 154.2 18.52 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.497 . . . . 74.120000000000005 110.569 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' ' HD3' ' A' ' 25' ' ' ARG . 60.0 p -97.57 -7.19 31.81 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.368 0.604 . . . . 71.310000000000002 111.038 -177.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -155.23 -109.56 0.33 Allowed Glycine 0 N--CA 1.423 -2.223 0 N-CA-C 109.708 -1.357 . . . . 35.340000000000003 109.708 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.466 ' HA ' HH11 ' A' ' 6' ' ' ARG . 14.9 ptp180 -107.42 170.87 7.71 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 117.027 0.413 . . . . 34.229999999999997 110.779 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 26.1 p -146.77 166.33 26.96 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 122.216 -0.302 . . . . 74.310000000000002 110.216 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.17 90.11 1.55 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.568 0.699 . . . . 62.210000000000001 111.574 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t 167.73 -39.03 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 126.563 1.945 . . . . 74.450000000000003 106.255 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 59.84 136.04 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 N-CA-C 116.674 2.102 . . . . 63.219999999999999 116.674 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 69.78 -15.04 0.33 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 115.434 1.642 . . . . 64.530000000000001 115.434 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.4 t -77.25 76.36 3.8 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 121.93 0.872 . . . . 34.130000000000003 109.175 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -101.2 116.96 34.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 105.619 -1.993 . . . . 74.230000000000004 105.619 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 p -108.53 -15.8 14.35 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-N 115.474 -0.784 . . . . 64.239999999999995 112.757 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.23 164.39 34.87 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 110.471 -1.052 . . . . 62.020000000000003 110.471 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.574 HG13 HD21 ' A' ' 16' ' ' LEU . 12.5 m -139.98 152.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-O 121.603 0.716 . . . . 75.030000000000001 111.938 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -148.06 120.03 8.21 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 114.574 -1.194 . . . . 75.510000000000005 109.302 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HB2' HD22 ' A' ' 26' ' ' LEU . 2.1 tm-20 -97.41 120.64 38.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.126 -1.064 . . . . 75.510000000000005 108.126 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' B' ' 127' ' ' TYR . 24.4 mt -136.72 133.31 48.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-N 114.652 -1.158 . . . . 74.140000000000001 107.966 -172.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 53.53 31.07 11.69 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.45 1.5 . . . . 72.299999999999997 113.128 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.64 -0.77 88.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.025 -0.607 . . . . 72.010000000000005 112.369 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 43.1 ttm180 -111.75 141.31 45.53 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 108.466 -0.939 . . . . 62.350000000000001 108.466 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.94 121.79 35.77 Favored 'General case' 0 N--CA 1.427 -1.622 0 N-CA-C 108.53 -0.915 . . . . 71.099999999999994 108.53 -177.476 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CE2' HD13 ' B' ' 122' ' ' ILE . 79.5 m-85 -101.6 110.16 22.1 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 115.538 -0.756 . . . . 75.340000000000003 110.128 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.48 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.8 mtt85 -92.77 151.19 20.16 Favored 'General case' 0 CA--C 1.474 -1.965 0 CA-C-N 115.143 -0.935 . . . . 65.120000000000005 109.183 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.576 HD21 ' SG ' ' B' ' 105' ' ' CYS . 58.7 mt -112.55 126.41 55.32 Favored 'General case' 0 N--CA 1.394 -3.241 0 N-CA-C 108.868 -0.789 . . . . 72.409999999999997 108.868 178.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 p -126.52 142.28 51.59 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 106.966 -1.494 . . . . 54.43 106.966 171.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 t -138.65 155.99 47.81 Favored 'General case' 0 N--CA 1.414 -2.26 0 C-N-CA 118.396 -1.322 . . . . 62.229999999999997 110.993 -172.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.464 0 CA-C-N 115.368 -0.833 . . . . 70.129999999999995 109.45 -178.714 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 110.507 -0.183 . . . . 54.219999999999999 110.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.523 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 55.7 m -115.91 112.6 22.12 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.5 -1.296 . . . . 64.25 107.5 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 m -123.38 167.44 13.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.783 -1.192 . . . . 34.43 107.783 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -162.67 150.61 13.98 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 120.749 0.309 . . . . 74.519999999999996 111.14 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.576 ' SG ' HD21 ' A' ' 29' ' ' LEU . 27.7 m -85.84 130.0 34.67 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.382 -0.826 . . . . 60.020000000000003 108.893 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.563 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 1.1 ppt_? -140.61 138.25 34.26 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-O 121.732 0.777 . . . . 71.140000000000001 112.78 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 46.5 p -80.29 -11.75 59.68 Favored 'General case' 0 C--N 1.278 -2.5 0 CA-C-N 114.884 -1.053 . . . . 62.210000000000001 112.989 -172.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -146.01 -113.32 0.81 Allowed Glycine 0 CA--C 1.464 -3.096 0 N-CA-C 108.92 -1.672 . . . . 71.519999999999996 108.92 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -102.61 178.68 4.51 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 108.66 -0.867 . . . . 64.129999999999995 108.66 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.563 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 26.9 p . . . . . 0 C--N 1.306 -1.31 0 N-CA-C 109.81 -0.441 . . . . 71.019999999999996 109.81 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 45.8 t . . . . . 0 N--CA 1.429 -1.487 0 N-CA-C 113.758 1.022 . . . . 72.420000000000002 113.758 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.464 HD21 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -100.76 106.74 18.18 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 103.947 -2.612 . . . . 74.099999999999994 103.947 166.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.6 p -109.99 -5.71 15.37 Favored 'General case' 0 C--N 1.262 -3.222 0 CA-C-N 114.556 -1.202 . . . . 62.439999999999998 112.624 -169.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.22 163.78 33.32 Favored Glycine 0 N--CA 1.42 -2.389 0 N-CA-C 110.847 -0.901 . . . . 24.149999999999999 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.464 HG13 HD21 ' B' ' 116' ' ' LEU . 6.3 m -141.3 147.13 22.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 123.466 0.706 . . . . 71.200000000000003 110.131 175.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.8 p -149.47 117.81 6.46 Favored 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 115.227 -0.897 . . . . 65.319999999999993 109.046 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.606 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.4 OUTLIER -97.22 120.91 38.46 Favored 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 107.741 -1.207 . . . . 55.340000000000003 107.741 178.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.422 HD13 ' CE2' ' A' ' 27' ' ' TYR . 33.0 mt -133.49 128.17 54.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 114.485 -1.234 . . . . 72.140000000000001 108.931 -171.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.2 p 54.02 32.12 14.91 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.201 1.4 . . . . 54.310000000000002 113.301 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.23 6.18 71.7 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.803 -0.713 . . . . 50.109999999999999 112.742 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.488 ' HD3' HG21 ' B' ' 107' ' ' THR . 38.7 ttm180 -123.01 141.48 51.91 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 108.262 -1.014 . . . . 75.5 108.262 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.1 OUTLIER -93.58 125.41 38.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.366 -0.976 . . . . 55.200000000000003 108.366 -175.626 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 22' ' ' ILE . 82.5 m-85 -107.84 102.38 11.59 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 121.522 0.677 . . . . 73.340000000000003 110.642 176.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 64.3 mtt85 -84.41 150.64 25.19 Favored 'General case' 0 CA--C 1.482 -1.663 0 N-CA-C 108.354 -0.98 . . . . 74.040000000000006 108.354 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.59 HD21 ' SG ' ' A' ' 5' ' ' CYS . 67.7 mt -110.77 131.46 55.03 Favored 'General case' 0 C--N 1.266 -3.026 0 N-CA-C 109.204 -0.665 . . . . 71.099999999999994 109.204 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.558 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 26.4 p -129.22 142.78 50.76 Favored 'General case' 0 CA--C 1.474 -1.954 0 N-CA-C 107.993 -1.114 . . . . 74.230000000000004 107.993 173.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.7 t -138.72 163.78 31.27 Favored 'General case' 0 N--CA 1.403 -2.786 0 C-N-CA 119.149 -1.02 . . . . 74.400000000000006 110.196 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.523 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 9.3 ptm180 . . . . . 0 C--N 1.294 -1.83 0 C-N-CA 124.076 0.95 . . . . 72.140000000000001 109.864 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.534 ' HB3' ' OG ' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 108.677 -0.86 . . . . 74.219999999999999 108.677 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.419 ' HB ' ' NE ' ' A' ' 32' ' ' ARG . 33.6 m -122.49 111.9 17.38 Favored 'General case' 0 N--CA 1.425 -1.694 0 C-N-CA 119.777 -0.769 . . . . 64.129999999999995 109.068 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.65 166.6 15.84 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 106.896 -1.52 . . . . 74.129999999999995 106.896 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -161.25 149.12 15.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 120.619 0.247 . . . . 73.120000000000005 110.391 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.664 ' SG ' HD21 ' B' ' 129' ' ' LEU . 34.8 m -88.86 111.51 22.15 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 115.673 -0.694 . . . . 73.239999999999995 110.424 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.9 ptt180 -102.99 148.71 25.34 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.926 -0.579 . . . . 75.040000000000006 110.337 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.42 HG21 ' HE ' ' A' ' 25' ' ' ARG . 4.9 m -90.78 -2.4 57.79 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.432 -0.804 . . . . 75.219999999999999 110.406 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.552 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -169.57 -103.73 0.17 Allowed Glycine 0 N--CA 1.418 -2.525 0 N-CA-C 108.817 -1.713 . . . . 35.340000000000003 108.817 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -101.0 168.9 9.31 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.605 -0.438 . . . . 65.209999999999994 110.288 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.17 163.75 29.65 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.795 -1.558 . . . . 75.040000000000006 106.795 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.46 73.16 1.9 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.462 0.648 . . . . 74.420000000000002 112.744 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t 173.16 -50.41 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 125.629 1.572 . . . . 60.520000000000003 108.566 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 56.17 -167.76 0.1 Allowed 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.638 0.775 . . . . 72.439999999999998 111.335 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 73.18 -51.57 0.71 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.673 1.189 . . . . 75.340000000000003 111.067 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.3 t -77.67 75.13 4.22 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-O 121.78 0.8 . . . . 53.0 109.819 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.547 HD21 HG13 ' A' ' 19' ' ' VAL . 4.9 tt -100.68 107.64 19.31 Favored 'General case' 0 N--CA 1.427 -1.601 0 N-CA-C 104.914 -2.254 . . . . 72.239999999999995 104.914 171.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 p -106.81 -9.94 16.22 Favored 'General case' 0 C--N 1.263 -3.176 0 CA-C-N 114.661 -1.154 . . . . 72.519999999999996 112.731 -169.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.86 164.12 34.08 Favored Glycine 0 N--CA 1.416 -2.643 0 N-CA-C 110.693 -0.963 . . . . 72.329999999999998 110.693 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.547 HG13 HD21 ' A' ' 16' ' ' LEU . 15.2 m -141.2 153.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 121.708 0.766 . . . . 75.299999999999997 111.213 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -149.58 117.7 6.37 Favored 'General case' 0 C--N 1.277 -2.543 0 CA-C-N 114.615 -1.175 . . . . 64.310000000000002 109.608 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.5 119.6 36.35 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.884 -1.154 . . . . 64.049999999999997 107.884 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.537 HD13 ' CE2' ' B' ' 127' ' ' TYR . 28.2 mt -129.33 125.2 61.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-N 114.272 -1.331 . . . . 64.230000000000004 108.41 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.9 p 54.38 31.59 14.82 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 125.736 1.614 . . . . 72.420000000000002 112.913 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 22.53 64.11 Favored Glycine 0 CA--C 1.508 -0.381 0 N-CA-C 111.888 -0.485 . . . . 22.210000000000001 111.888 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HE ' HG21 ' A' ' 7' ' ' THR . 43.4 ttt180 -129.78 132.27 46.48 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.264 -1.754 . . . . 51.310000000000002 106.264 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.87 128.16 40.0 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.336 -0.946 . . . . 72.540000000000006 109.346 -174.199 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.47 115.31 29.41 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.226 -0.897 . . . . 73.049999999999997 109.978 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 69.8 mtt85 -96.93 152.74 18.41 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-N 115.454 -0.794 . . . . 74.420000000000002 109.126 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.611 HD21 ' SG ' ' B' ' 105' ' ' CYS . 56.3 mt -113.04 123.54 50.54 Favored 'General case' 0 C--N 1.266 -3.056 0 N-CA-C 108.617 -0.883 . . . . 72.340000000000003 108.617 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 p -122.17 131.28 53.87 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.617 -1.253 . . . . 54.530000000000001 107.617 171.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.3 t -135.61 149.63 49.42 Favored 'General case' 0 N--CA 1.422 -1.862 0 C-N-CA 120.075 -0.65 . . . . 52.0 109.315 -172.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NE ' ' HB ' ' A' ' 2' ' ' THR . 41.7 ptt180 . . . . . 0 C--N 1.312 -1.058 0 C-N-CA 120.737 -0.385 . . . . 72.129999999999995 110.451 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.096 -0.335 . . . . 62.399999999999999 110.096 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.489 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 91.7 m -118.3 112.18 19.73 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.399 -0.963 . . . . 71.430000000000007 108.399 173.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 58.6 m -117.58 159.65 22.54 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.723 -1.214 . . . . 73.540000000000006 107.723 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -154.04 144.07 21.96 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.782 0.325 . . . . 73.420000000000002 110.785 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.2 m -87.03 114.69 23.85 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.2 -0.909 . . . . 64.319999999999993 109.201 -176.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.547 ' NH1' ' HA ' ' B' ' 109' ' ' ARG 0.317 4.0 ppt_? -120.56 134.16 55.31 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 113.907 1.077 . . . . 74.439999999999998 113.907 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 23.0 p -80.49 -3.01 48.37 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.332 -1.304 . . . . 74.239999999999995 112.823 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 -110.23 0.59 Allowed Glycine 0 CA--C 1.458 -3.504 0 N-CA-C 108.253 -1.939 . . . . 61.240000000000002 108.253 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.547 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.9 ptt180 -115.5 177.86 4.51 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.09 0.471 . . . . 74.209999999999994 110.216 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.482 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 9.5 p . . . . . 0 C--N 1.293 -1.85 0 N-CA-C 104.928 -2.249 . . . . 74.519999999999996 104.928 172.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 38.7 t . . . . . 0 N--CA 1.436 -1.161 0 CA-C-O 121.032 0.444 . . . . 75.409999999999997 110.217 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.45 HD21 HG13 ' B' ' 119' ' ' VAL . 3.3 tt -76.28 115.49 16.05 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.906 -1.887 . . . . 64.310000000000002 105.906 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 17.8 m -115.04 -8.97 12.42 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.558 -1.656 . . . . 75.239999999999995 111.4 -171.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.67 164.44 34.67 Favored Glycine 0 N--CA 1.427 -1.966 0 C-N-CA 120.541 -0.838 . . . . 62.5 111.373 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.45 HG13 HD21 ' B' ' 116' ' ' LEU . 6.7 m -141.11 149.73 20.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 123.467 0.707 . . . . 71.019999999999996 110.956 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.02 118.52 6.93 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 114.864 -1.062 . . . . 72.040000000000006 109.372 174.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.587 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.57 118.74 34.76 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 107.926 -1.139 . . . . 72.329999999999998 107.926 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.32 126.98 66.78 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 114.258 -1.337 . . . . 70.439999999999998 108.756 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 64.5 p 52.15 31.66 9.37 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 125.659 1.584 . . . . 54.030000000000001 113.292 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.87 18.06 64.2 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.655 -0.783 . . . . 42.299999999999997 112.288 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -129.27 135.31 48.61 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.486 -1.301 . . . . 63.350000000000001 107.486 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.79 122.73 36.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.09 -0.644 . . . . 72.439999999999998 109.93 -173.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.537 ' CE2' HD13 ' A' ' 22' ' ' ILE . 70.4 m-85 -106.07 110.65 22.97 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.515 -0.766 . . . . 73.430000000000007 110.552 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.538 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.2 mtt85 -95.79 139.05 32.57 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.752 -0.658 . . . . 72.209999999999994 109.349 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.664 HD21 ' SG ' ' A' ' 5' ' ' CYS . 50.3 mt -105.75 114.13 28.1 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-N 115.855 -0.611 . . . . 42.439999999999998 110.259 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' B' ' 115' ' ' SER . 4.9 p -112.38 141.12 46.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.355 -0.98 . . . . 72.549999999999997 108.355 171.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.7 t -145.06 142.33 29.63 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 119.02 -1.072 . . . . 62.310000000000002 111.796 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.489 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 17.2 ptm180 . . . . . 0 C--N 1.304 -1.399 0 CA-C-N 115.357 -0.838 . . . . 71.310000000000002 109.928 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.79 0 CA-C-O 120.834 0.35 . . . . 33.130000000000003 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.458 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 26.1 m -128.98 112.21 13.81 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.602 -1.629 . . . . 61.130000000000003 106.602 172.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.0 m -123.29 160.03 27.54 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.288 -1.745 . . . . 73.310000000000002 106.288 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 29.2 p90 -154.55 146.71 23.73 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 118.137 0.426 . . . . 72.099999999999994 111.979 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.701 ' SG ' HD21 ' B' ' 129' ' ' LEU . 37.3 m -87.93 101.66 13.96 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.205 -0.907 . . . . 73.510000000000005 110.108 -176.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.62 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.3 ppt_? -114.67 142.09 46.94 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 113.436 0.902 . . . . 75.439999999999998 113.436 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 25' ' ' ARG . 21.6 p -89.85 0.3 57.12 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.163 -0.926 . . . . 43.43 113.473 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.2 -99.88 0.62 Allowed Glycine 0 CA--C 1.479 -2.212 0 N-CA-C 109.969 -1.253 . . . . 73.319999999999993 109.969 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.62 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 12.2 ptp180 -135.29 178.47 7.01 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.351 -0.981 . . . . 75.25 108.351 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 21.1 p -146.7 158.52 43.92 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 120.705 -0.398 . . . . 53.020000000000003 110.98 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.38 91.04 1.71 Allowed 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 123.591 0.557 . . . . 73.349999999999994 110.303 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 13.2 t 161.45 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 105.082 -2.192 . . . . 74.109999999999999 105.082 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 0.276 7.0 mmm180 59.34 -84.27 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.615 2.08 . . . . 63.210000000000001 116.615 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.02 78.89 9.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-O 122.223 1.011 . . . . 73.310000000000002 109.991 -173.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -153.95 20.51 0.51 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.951 -1.477 . . . . 74.439999999999998 108.038 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.503 HD21 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -77.85 111.07 13.3 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 105.221 -2.14 . . . . 73.519999999999996 105.221 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 p -113.78 -7.23 13.26 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-N 114.094 -1.412 . . . . 71.109999999999999 112.057 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.59 163.57 33.43 Favored Glycine 0 N--CA 1.404 -3.464 0 N-CA-C 110.761 -0.936 . . . . 73.019999999999996 110.761 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG13 HD21 ' A' ' 16' ' ' LEU . 11.1 m -139.49 151.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.242 0.544 . . . . 61.020000000000003 110.853 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.67 118.68 8.21 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.742 -1.117 . . . . 73.420000000000002 108.84 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.94 123.38 40.64 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.438 -1.319 . . . . 64.319999999999993 107.438 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.416 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 41.4 mt -135.37 125.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.205 0 CA-C-N 114.624 -1.171 . . . . 70.230000000000004 108.843 -172.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.7 p 55.44 31.97 17.99 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 125.627 1.571 . . . . 61.109999999999999 113.045 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.45 19.28 64.53 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.852 -0.69 . . . . 53.009999999999998 112.232 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HD3' HG21 ' A' ' 7' ' ' THR . 39.7 ttm180 -129.46 134.03 47.6 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 107.592 -1.262 . . . . 71.120000000000005 107.592 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 120.42 34.13 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.956 -0.698 . . . . 72.420000000000002 109.262 -175.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.587 ' CE2' HD13 ' B' ' 122' ' ' ILE . 73.2 m-85 -101.68 118.18 36.41 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.507 -0.77 . . . . 72.409999999999997 110.243 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 57.7 mtt85 -101.17 140.09 35.95 Favored 'General case' 0 CA--C 1.485 -1.542 0 C-N-CA 123.36 0.664 . . . . 72.299999999999997 109.21 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.65 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.6 mt -105.62 124.22 49.2 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 115.758 -0.655 . . . . 74.299999999999997 110.208 -177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 15' ' ' SER . 14.5 p -133.01 143.6 49.53 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 108.271 -1.011 . . . . 54.420000000000002 108.271 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 t -141.65 162.04 36.45 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.208 -0.997 . . . . 74.420000000000002 110.888 -170.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 33.1 ptt180 . . . . . 0 C--O 1.257 1.49 0 N-CA-C 109.732 -0.47 . . . . 55.140000000000001 109.732 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.898 0 N-CA-C 109.021 -0.733 . . . . 72.530000000000001 109.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.8 m -142.63 112.32 6.83 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.825 -0.806 . . . . 73.230000000000004 108.825 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 18.3 m -125.6 154.72 41.84 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 106.081 -1.822 . . . . 71.129999999999995 106.081 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 40.3 p90 -150.18 143.47 25.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.147 0.795 . . . . 71.140000000000001 113.147 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.65 ' SG ' HD21 ' A' ' 29' ' ' LEU . 33.5 m -78.31 106.16 10.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.744 -1.116 . . . . 50.130000000000003 109.93 -177.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.531 ' HD2' ' HB2' ' B' ' 128' ' ' ARG . 3.6 ppt_? -118.65 130.99 56.16 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.921 0.867 . . . . 74.239999999999995 112.872 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' B' ' 125' ' ' ARG . 30.4 p -74.38 -16.33 60.9 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-N 114.557 -1.201 . . . . 74.400000000000006 112.902 -174.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.42 -91.26 0.14 Allowed Glycine 0 CA--C 1.456 -3.612 0 C-N-CA 119.537 -1.316 . . . . 52.240000000000002 110.449 -175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -119.82 177.65 4.89 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.39 -0.967 . . . . 65.519999999999996 108.39 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.489 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 22.4 p . . . . . 0 C--N 1.3 -1.573 0 CA-C-O 119.72 -0.181 . . . . 75.129999999999995 110.727 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 35.1 t . . . . . 0 N--CA 1.406 -2.672 0 N-CA-C 103.768 -2.679 . . . . 54.399999999999999 103.768 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.523 HD21 HG13 ' B' ' 119' ' ' VAL . 3.9 tt -77.5 116.67 18.26 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.054 -1.461 . . . . 55.240000000000002 107.054 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.2 p -118.17 -7.2 10.82 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.264 -1.334 . . . . 75.430000000000007 112.216 -172.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.88 164.02 33.91 Favored Glycine 0 N--CA 1.422 -2.247 0 N-CA-C 110.349 -1.1 . . . . 72.430000000000007 110.349 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.523 HG13 HD21 ' B' ' 116' ' ' LEU . 14.1 m -138.67 151.83 24.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.246 0.546 . . . . 73.230000000000004 110.57 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.7 p -143.93 112.84 6.69 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 115.273 -0.876 . . . . 74.099999999999994 109.509 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.521 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -98.26 121.43 40.17 Favored 'General case' 0 N--CA 1.413 -2.324 0 N-CA-C 108.097 -1.075 . . . . 75.219999999999999 108.097 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.587 HD13 ' CE2' ' A' ' 27' ' ' TYR . 18.6 mt -129.81 121.63 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 114.536 -1.211 . . . . 74.319999999999993 108.712 -172.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 57.1 p 51.33 32.19 8.08 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.264 1.426 . . . . 75.140000000000001 113.946 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 100.71 -10.78 59.19 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.385 -0.436 . . . . 74.439999999999998 113.305 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.488 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 62.9 ttt180 -104.73 135.76 45.52 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.771 -0.826 . . . . 75.319999999999993 108.771 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.49 123.35 37.86 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.05 -0.66 . . . . 74.420000000000002 109.417 -176.792 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.488 ' OH ' ' HD3' ' B' ' 125' ' ' ARG . 94.4 m-85 -105.96 112.32 25.32 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.683 -0.69 . . . . 63.420000000000002 109.525 175.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.531 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 76.7 mtt85 -91.48 142.82 27.24 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 109.374 -0.602 . . . . 64.510000000000005 109.374 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.701 HD21 ' SG ' ' A' ' 5' ' ' CYS . 71.3 mt -105.74 126.12 51.79 Favored 'General case' 0 C--N 1.272 -2.769 0 N-CA-C 109.347 -0.612 . . . . 71.030000000000001 109.347 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' B' ' 115' ' ' SER . 22.7 p -126.07 142.43 51.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.192 -1.41 . . . . 74.049999999999997 107.192 172.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 27.3 t -142.28 152.4 42.97 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.285 -0.966 . . . . 73.129999999999995 110.818 -172.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.424 ' HG3' ' OXT' ' B' ' 132' ' ' ARG . 26.5 ptt180 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 118.596 -0.716 . . . . 75.230000000000004 109.116 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.292 -0.633 . . . . 74.230000000000004 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m -120.85 111.46 17.58 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.413 -0.958 . . . . 70.209999999999994 108.413 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.2 m -123.39 164.0 19.71 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.473 -0.936 . . . . 53.530000000000001 108.473 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -157.79 144.4 17.82 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 122.508 0.323 . . . . 74.540000000000006 110.214 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.631 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.8 m -88.65 119.98 29.61 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.824 -0.626 . . . . 71.409999999999997 109.423 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.596 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.2 ppt_? -129.1 135.32 48.73 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 113.397 0.888 . . . . 73.430000000000007 113.397 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 42.4 p -82.22 -11.46 58.67 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.061 -0.972 . . . . 75.209999999999994 112.303 -173.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.411 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -131.61 -119.22 2.06 Favored Glycine 0 CA--C 1.456 -3.605 0 N-CA-C 108.78 -1.728 . . . . 54.530000000000001 108.78 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.596 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 18.3 ptp180 -107.89 177.97 4.66 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 109.292 -0.632 . . . . 71.129999999999995 109.292 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 14.2 p -138.29 160.54 39.22 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.491 -0.929 . . . . 64.430000000000007 108.491 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.13 79.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 63.240000000000002 112.087 -174.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 169.07 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.432 1.493 . . . . 64.129999999999995 107.821 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 66.51 -75.42 0.06 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.131 0.972 . . . . 71.299999999999997 112.764 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.78 87.1 3.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.69 0.757 . . . . 72.430000000000007 110.158 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 40.7 t -166.65 14.39 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.175 -1.375 . . . . 64.019999999999996 108.117 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.76 112.92 16.38 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 106.977 -1.49 . . . . 63.43 106.977 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB3' ' HB3' ' B' ' 101' ' ' ALA . 25.7 p -116.76 -4.45 11.63 Favored 'General case' 0 C--N 1.27 -2.86 0 CA-C-N 113.952 -1.477 . . . . 44.130000000000003 112.294 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 163.95 34.16 Favored Glycine 0 N--CA 1.418 -2.565 0 C-N-CA 120.178 -1.01 . . . . 64.219999999999999 111.81 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.441 HG13 HD21 ' A' ' 16' ' ' LEU . 9.2 m -143.32 147.31 20.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 123.292 0.637 . . . . 75.200000000000003 111.008 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -146.96 119.5 8.49 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 114.875 -1.057 . . . . 74.150000000000006 109.269 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.45 122.61 40.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.847 -1.168 . . . . 63.299999999999997 107.847 178.699 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.466 HD13 ' CE2' ' B' ' 127' ' ' TYR . 31.8 mt -130.16 120.94 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 114.541 -1.208 . . . . 73.150000000000006 108.916 -172.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.4 p 52.93 33.1 13.82 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.814 1.246 . . . . 72.540000000000006 113.594 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 -11.47 68.46 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.213 -0.448 . . . . 65.209999999999994 112.514 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HE ' HG21 ' A' ' 7' ' ' THR . 75.1 ttt180 -103.33 132.25 49.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.072 -1.084 . . . . 60.130000000000003 108.072 -174.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -93.55 125.21 38.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.198 -0.667 . . . . 73.340000000000003 109.198 -174.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CE2' HD13 ' B' ' 122' ' ' ILE . 67.6 m-85 -106.31 111.6 24.25 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 123.157 0.583 . . . . 62.299999999999997 110.9 176.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.4 mtt85 -93.76 143.66 26.12 Favored 'General case' 0 CA--C 1.48 -1.714 0 CA-C-N 115.44 -0.8 . . . . 60.119999999999997 108.876 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.626 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.4 mt -108.22 127.89 54.23 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 109.079 -0.711 . . . . 72.439999999999998 109.079 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 15' ' ' SER . 8.7 p -129.18 142.51 50.84 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 108.177 -1.045 . . . . 45.399999999999999 108.177 171.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 t -147.3 153.71 40.06 Favored 'General case' 0 N--CA 1.416 -2.162 0 C-N-CA 119.184 -1.006 . . . . 74.129999999999995 111.274 -168.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 . . . . . 0 C--O 1.255 1.392 0 CA-C-N 115.496 -0.775 . . . . 74.439999999999998 109.393 177.464 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 109.044 -0.725 . . . . 72.349999999999994 109.044 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 52.6 m -124.97 111.49 15.47 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.283 -1.006 . . . . 73.140000000000001 108.283 175.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.6 m -123.94 156.09 36.98 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.304 -1.369 . . . . 74.030000000000001 107.304 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -151.81 151.15 30.96 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 120.504 0.192 . . . . 72.530000000000001 110.579 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.626 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.4 m -94.64 109.67 21.57 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.881 0.738 . . . . 62.420000000000002 110.63 -174.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.553 ' HD3' ' C ' ' B' ' 109' ' ' ARG . 7.1 ptt180 -98.88 147.7 24.68 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.958 0.409 . . . . 65.230000000000004 111.525 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.3 p -96.07 5.25 51.56 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.638 -0.71 . . . . 65.25 111.589 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -172.74 -75.54 0.05 OUTLIER Glycine 0 N--CA 1.42 -2.375 0 N-CA-C 110.221 -1.152 . . . . 11.4 110.221 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.553 ' C ' ' HD3' ' B' ' 106' ' ' ARG . 16.6 ptp180 -132.07 162.73 30.09 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.657 0.265 . . . . 64.219999999999999 111.441 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 0.978 0 N-CA-C 109.213 -0.662 . . . . 74.340000000000003 109.213 -178.757 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 30.5 t . . . . . 0 N--CA 1.426 -1.672 0 N-CA-C 106.831 -1.544 . . . . 62.5 106.831 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.447 HD21 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -78.8 123.42 27.18 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.278 -1.749 . . . . 71.0 106.278 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' SER . . . . . 0.48 ' HB3' ' HB3' ' A' ' 1' ' ' ALA . 16.1 p -125.64 -1.72 7.37 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 114.988 -1.006 . . . . 75.519999999999996 112.866 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.73 163.58 33.35 Favored Glycine 0 N--CA 1.428 -1.836 0 N-CA-C 110.646 -0.981 . . . . 73.239999999999995 110.646 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.447 HG13 HD21 ' B' ' 116' ' ' LEU . 12.4 m -143.28 145.71 22.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 CA-C-O 121.166 0.508 . . . . 70.209999999999994 111.046 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.6 p -143.31 124.45 14.51 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 115.263 -0.88 . . . . 75.329999999999998 109.648 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.3 118.94 36.09 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 108.091 -1.077 . . . . 74.109999999999999 108.091 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.442 HD13 ' CE2' ' A' ' 27' ' ' TYR . 48.0 mt -127.91 123.29 60.5 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.198 0 CA-C-N 114.196 -1.365 . . . . 71.25 108.293 -172.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.9 p 53.04 31.7 11.6 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 125.11 1.364 . . . . 61.329999999999998 112.546 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.22 -1.13 87.58 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.051 -0.595 . . . . 71.340000000000003 112.236 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -106.82 136.94 45.78 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.89 -1.152 . . . . 72.450000000000003 107.89 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.76 123.2 38.07 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 119.832 -0.747 . . . . 74.420000000000002 110.956 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.466 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.5 m-85 -105.46 112.71 25.91 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 114.963 -1.017 . . . . 75.549999999999997 110.382 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.512 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.0 mtt85 -95.55 142.96 27.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.64 -0.874 . . . . 71.409999999999997 108.64 177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.631 HD21 ' SG ' ' A' ' 5' ' ' CYS . 61.3 mt -105.06 123.56 48.02 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 109.351 -0.611 . . . . 73.209999999999994 109.351 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.498 ' SG ' ' NE ' ' B' ' 106' ' ' ARG . 61.6 m -110.79 131.62 54.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.025 -1.842 . . . . 71.200000000000003 106.025 174.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 14.6 t -141.98 148.19 38.17 Favored 'General case' 0 N--CA 1.416 -2.156 0 C-N-CA 118.307 -1.357 . . . . 75.340000000000003 111.944 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.42 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 15.6 ptm180 . . . . . 0 N--CA 1.415 -2.186 0 CA-C-N 114.456 -1.247 . . . . 74.510000000000005 108.049 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 109.507 -0.553 . . . . 71.230000000000004 109.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -113.74 110.83 20.79 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.742 -1.577 . . . . 73.109999999999999 106.742 174.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' B' ' 117' ' ' SER . 11.2 m -128.0 167.15 17.1 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.975 -1.12 . . . . 71.129999999999995 107.975 -174.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -159.36 155.62 27.07 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 110.098 -0.334 . . . . 74.230000000000004 110.098 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.632 ' SG ' HD21 ' B' ' 129' ' ' LEU . 24.8 m -92.21 111.47 23.05 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.157 -0.683 . . . . 63.450000000000003 109.157 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.51 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.2 ptt180 -103.34 148.08 26.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.621 -0.263 . . . . 75.109999999999999 110.677 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 p -94.38 7.1 46.67 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.616 0.722 . . . . 72.340000000000003 111.117 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -168.0 -122.54 0.62 Allowed Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.6 -1.4 . . . . 62.219999999999999 109.6 -176.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HA ' HH11 ' A' ' 6' ' ' ARG . 24.4 ptt180 -98.15 173.31 7.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 117.186 0.493 . . . . 75.099999999999994 110.568 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -146.42 169.4 18.95 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.935 -1.876 . . . . 62.119999999999997 105.935 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.05 7.3 1.7 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.737 0.78 . . . . 53.509999999999998 112.16 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -133.79 37.87 3.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 105.955 -1.868 . . . . 74.319999999999993 105.955 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 13' ' ' ARG . 3.0 tmm_? -46.36 -44.01 16.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.804 2.042 . . . . 54.420000000000002 112.834 -173.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.51 -34.13 68.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.887 0.375 . . . . 50.100000000000001 111.207 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -80.01 79.12 6.59 Favored 'General case' 0 N--CA 1.419 -1.988 0 CA-C-O 121.899 0.857 . . . . 53.549999999999997 110.532 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.719 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -99.54 112.83 24.98 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 104.606 -2.368 . . . . 63.030000000000001 104.606 172.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' B' ' 101' ' ' ALA . 50.2 p -101.55 -21.07 14.82 Favored 'General case' 0 C--N 1.272 -2.761 0 CA-C-N 115.205 -0.907 . . . . 70.239999999999995 112.176 -172.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.84 163.99 37.43 Favored Glycine 0 N--CA 1.419 -2.451 0 N-CA-C 110.286 -1.126 . . . . 71.25 110.286 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.719 HG13 HD21 ' A' ' 16' ' ' LEU . 3.0 m -139.42 147.77 24.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-O 121.215 0.531 . . . . 64.230000000000004 112.011 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.0 p -147.99 111.58 5.01 Favored 'General case' 0 C--N 1.277 -2.553 0 CA-C-N 114.583 -1.19 . . . . 71.109999999999999 108.708 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HB2' HD22 ' A' ' 26' ' ' LEU . 40.5 tt0 -96.75 110.96 23.32 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 107.588 -1.264 . . . . 65.329999999999998 107.588 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.508 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.0 mt -122.74 133.85 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-N 114.737 -1.12 . . . . 72.310000000000002 108.134 -172.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 p 54.86 33.22 19.39 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 124.874 1.27 . . . . 74.040000000000006 111.867 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.41 86.82 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.861 -0.609 . . . . 61.310000000000002 113.332 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -112.08 137.29 50.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.302 -1.369 . . . . 64.140000000000001 107.302 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.1 116.92 29.5 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 119.141 -1.023 . . . . 70.540000000000006 108.423 -174.206 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 91.5 m-85 -97.16 104.83 16.88 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 115.364 -0.835 . . . . 72.129999999999995 109.45 175.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 56.8 mtt85 -91.01 151.04 21.2 Favored 'General case' 0 CA--C 1.48 -1.721 0 CA-C-N 115.281 -0.872 . . . . 72.329999999999998 108.945 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD21 ' SG ' ' B' ' 105' ' ' CYS . 53.2 mt -111.57 121.92 46.43 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 108.903 -0.777 . . . . 60.100000000000001 108.903 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.24 142.17 51.46 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 107.17 -1.419 . . . . 74.299999999999997 107.17 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.5 t -134.77 148.18 50.17 Favored 'General case' 0 N--CA 1.408 -2.538 0 C-N-CA 117.936 -1.506 . . . . 74.400000000000006 112.535 -170.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 . . . . . 0 C--N 1.302 -1.498 0 C-N-CA 124.99 1.316 . . . . 73.349999999999994 109.149 178.847 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 109.32 -0.622 . . . . 73.099999999999994 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 99.3 m -113.72 113.62 25.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 109.562 -0.533 . . . . 74.450000000000003 109.562 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -137.55 168.73 19.08 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.181 -1.044 . . . . 71.109999999999999 108.181 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.427 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 31.2 p90 -164.5 153.17 12.85 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.79 0.436 . . . . 62.049999999999997 110.222 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.571 ' SG ' HD21 ' A' ' 29' ' ' LEU . 32.2 m -88.61 106.11 18.1 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 123.668 0.605 . . . . 60.119999999999997 109.92 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.3 ptt180 -97.42 147.45 24.2 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 116.072 -0.513 . . . . 61.229999999999997 111.353 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.0 p -91.82 2.21 56.66 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.577 0.704 . . . . 55.100000000000001 111.391 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' GLY . . . . . 0.502 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -170.98 -105.37 0.18 Allowed Glycine 0 N--CA 1.419 -2.449 0 N-CA-C 109.736 -1.346 . . . . 54.25 109.736 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -101.91 174.87 5.75 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.849 -0.426 . . . . 72.209999999999994 109.849 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.427 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 24.1 p . . . . . 0 CA--C 1.495 -1.142 0 N-CA-C 107.897 -1.149 . . . . 53.210000000000001 107.897 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.433 -1.282 0 CA-C-O 121.457 0.646 . . . . 73.420000000000002 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.517 HD21 HG13 ' B' ' 119' ' ' VAL . 4.6 tt -101.59 112.73 25.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.307 -2.108 . . . . 53.530000000000001 105.307 169.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' SER . . . . . 0.435 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 26.4 p -107.0 -14.35 14.96 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-N 115.613 -0.721 . . . . 74.200000000000003 112.861 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.36 164.41 34.83 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 110.886 -0.885 . . . . 63.520000000000003 110.886 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.517 HG13 HD21 ' B' ' 116' ' ' LEU . 4.8 m -139.53 150.93 22.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.356 0.598 . . . . 72.230000000000004 111.545 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.3 p -150.46 121.21 7.54 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 114.731 -1.122 . . . . 71.510000000000005 109.747 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.532 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.3 OUTLIER -97.86 122.71 41.29 Favored 'General case' 0 N--CA 1.417 -2.102 0 N-CA-C 107.426 -1.324 . . . . 74.510000000000005 107.426 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.412 HD13 ' CE2' ' A' ' 27' ' ' TYR . 41.5 mt -129.02 121.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-N 114.823 -1.081 . . . . 74.519999999999996 109.503 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 69.1 p 48.49 32.15 3.22 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 126.407 1.883 . . . . 72.430000000000007 114.826 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 106.02 -5.9 39.73 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.734 -0.746 . . . . 33.32 113.244 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -116.33 138.69 51.12 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 117.435 0.617 . . . . 73.099999999999994 110.043 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.82 118.87 32.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.714 -0.847 . . . . 71.099999999999994 108.714 -177.369 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 22' ' ' ILE . 76.3 m-85 -100.36 121.5 41.6 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.419 -0.81 . . . . 75.329999999999998 110.775 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.6 mtt85 -100.19 152.7 19.97 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.002 -0.74 . . . . 74.230000000000004 109.002 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.632 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.2 mt -112.52 129.24 56.42 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 108.407 -0.96 . . . . 62.109999999999999 108.407 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.77 135.16 46.57 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 109.439 -0.578 . . . . 70.5 109.439 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 83.4 m -115.26 140.12 49.37 Favored 'General case' 0 N--CA 1.417 -2.098 0 CA-C-N 115.773 -0.649 . . . . 74.400000000000006 111.273 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 C--N 1.297 -1.705 0 C-N-CA 125.405 1.482 . . . . 73.450000000000003 110.225 -175.425 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 110.126 -0.324 . . . . 71.109999999999999 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.7 m -116.95 110.63 18.53 Favored 'General case' 0 N--CA 1.424 -1.735 0 N-CA-C 107.812 -1.181 . . . . 65.239999999999995 107.812 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 m -125.95 154.77 42.37 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 106.222 -1.77 . . . . 63.43 106.222 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -152.69 151.0 30.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 118.334 0.515 . . . . 72.409999999999997 110.98 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.6 m -87.36 106.31 17.86 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.066 -0.97 . . . . 75.049999999999997 109.176 -176.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.503 HH11 ' HA ' ' A' ' 9' ' ' ARG . 10.8 ptt180 -97.98 141.64 30.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.828 0.347 . . . . 70.329999999999998 111.068 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.0 p -88.86 6.28 39.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.929 -0.578 . . . . 60.210000000000001 111.675 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.76 -96.34 0.1 Allowed Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 110.192 -1.163 . . . . 31.140000000000001 110.192 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HA ' HH11 ' A' ' 6' ' ' ARG . 34.0 ptt180 -124.57 170.69 10.67 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.11 0.481 . . . . 72.049999999999997 111.119 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.75 169.34 17.79 Favored 'General case' 0 N--CA 1.417 -2.121 0 N-CA-C 104.348 -2.464 . . . . 73.239999999999995 104.348 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.68 61.82 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 119.171 0.896 . . . . 74.439999999999998 110.563 -173.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 12' ' ' THR . 8.0 t -113.82 89.31 3.05 Favored 'General case' 0 N--CA 1.406 -2.631 0 CA-C-O 122.23 1.014 . . . . 71.450000000000003 110.321 174.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 74.409999999999997 108.558 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -51.43 -36.92 45.99 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.613 1.565 . . . . 62.200000000000003 112.216 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.701 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 48.9 m -79.89 19.94 0.65 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.58 0.955 . . . . 75.420000000000002 113.58 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HB2' ' NH2' ' A' ' 6' ' ' ARG . 4.2 tt -76.83 115.44 16.61 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 105.442 -2.058 . . . . 62.439999999999998 105.442 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.2 p -122.56 -2.53 8.9 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 114.566 -1.197 . . . . 63.020000000000003 112.521 -171.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.63 162.43 31.72 Favored Glycine 0 N--CA 1.42 -2.398 0 N-CA-C 110.549 -1.02 . . . . 63.210000000000001 110.549 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.469 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.5 m -141.44 149.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.326 0.584 . . . . 61.539999999999999 111.363 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -146.1 121.79 10.5 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 114.838 -1.073 . . . . 63.520000000000003 109.546 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.492 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -97.41 122.45 40.48 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 107.819 -1.178 . . . . 74.25 107.819 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.423 HD13 ' CE2' ' B' ' 127' ' ' TYR . 27.1 mt -136.95 128.84 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.861 0 CA-C-N 114.517 -1.22 . . . . 74.219999999999999 108.448 -173.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.8 p 54.07 32.36 15.5 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.288 1.435 . . . . 74.040000000000006 113.335 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.51 10.45 76.9 Favored Glycine 0 C--O 1.24 0.478 0 C-N-CA 120.784 -0.722 . . . . 62.130000000000003 112.391 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -123.04 137.98 54.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.794 -0.817 . . . . 63.450000000000003 108.794 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.37 117.35 29.99 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.538 -0.912 . . . . 72.530000000000001 108.538 -178.477 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 84.6 m-85 -97.15 118.69 34.14 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.434 -0.803 . . . . 71.299999999999997 109.681 177.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 61.2 mtt85 -100.27 145.5 28.03 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.768 -0.651 . . . . 63.439999999999998 109.292 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.675 HD21 ' SG ' ' B' ' 105' ' ' CYS . 55.8 mt -108.47 115.59 30.38 Favored 'General case' 0 C--N 1.268 -2.949 0 N-CA-C 108.838 -0.801 . . . . 73.019999999999996 108.838 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 15' ' ' SER . 16.0 p -116.37 117.87 31.15 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 109.253 -0.647 . . . . 53.329999999999998 109.253 172.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.52 143.34 39.31 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 115.722 -0.672 . . . . 72.219999999999999 111.152 -172.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 . . . . . 0 C--O 1.256 1.425 0 CA-C-N 115.117 -0.947 . . . . 75.420000000000002 109.327 -177.848 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 120.75 0.31 . . . . 62.539999999999999 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' B' ' 132' ' ' ARG . 93.5 m -139.79 112.69 8.06 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.988 -0.745 . . . . 73.430000000000007 108.988 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 m -126.23 166.34 17.26 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 106.459 -1.682 . . . . 74.140000000000001 106.459 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -158.11 154.75 27.99 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 118.16 0.436 . . . . 74.239999999999995 110.95 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.675 ' SG ' HD21 ' A' ' 29' ' ' LEU . 29.7 m -91.29 102.11 14.82 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 123.859 0.724 . . . . 63.409999999999997 109.142 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.51 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.0 ptt180 -91.71 140.31 29.83 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.071 0.462 . . . . 62.210000000000001 111.045 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.4 p -89.06 22.44 2.76 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.699 -0.682 . . . . 74.120000000000005 111.07 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 175.84 -113.06 0.42 Allowed Glycine 0 N--CA 1.426 -2.028 0 N-CA-C 110.472 -1.051 . . . . 65.0 110.472 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.51 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.8 ptt180 -106.94 175.05 5.63 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.719 -0.474 . . . . 74.540000000000006 109.719 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.296 -1.741 0 N-CA-C 107.432 -1.321 . . . . 75.329999999999998 107.432 172.388 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.43 -1.447 0 N-CA-C 114.406 1.261 . . . . 60.399999999999999 114.406 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.588 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -101.19 116.27 32.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.674 -1.973 . . . . 62.409999999999997 105.674 170.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 9.8 p -104.19 -16.81 15.11 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 113.409 0.892 . . . . 73.219999999999999 113.409 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.64 164.12 34.22 Favored Glycine 0 N--CA 1.42 -2.378 0 N-CA-C 110.579 -1.008 . . . . 72.120000000000005 110.579 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.588 HG13 HD21 ' B' ' 116' ' ' LEU . 5.5 m -139.13 151.53 23.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.258 0.551 . . . . 72.219999999999999 111.694 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 p -148.65 116.7 6.4 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.746 -1.116 . . . . 71.430000000000007 109.45 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.564 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.08 121.13 38.62 Favored 'General case' 0 CA--C 1.474 -1.944 0 N-CA-C 107.602 -1.259 . . . . 72.540000000000006 107.602 179.041 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.524 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 25.8 mt -135.32 129.11 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 CA-C-N 114.665 -1.152 . . . . 74.430000000000007 108.285 -172.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 55.1 p 53.42 32.0 13.13 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 124.933 1.293 . . . . 74.340000000000003 113.425 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.71 0.15 75.91 Favored Glycine 0 CA--C 1.507 -0.461 0 C-N-CA 121.168 -0.539 . . . . 52.210000000000001 112.86 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.432 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.6 ttm180 -116.05 139.49 50.23 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 108.912 -0.773 . . . . 73.030000000000001 108.912 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.0 115.33 27.65 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 108.684 -0.858 . . . . 64.310000000000002 108.684 -177.183 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' B' ' 125' ' ' ARG . 90.8 m-85 -95.71 111.9 23.75 Favored 'General case' 0 C--N 1.278 -2.542 0 CA-C-N 115.808 -0.633 . . . . 64.040000000000006 109.837 177.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.42 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 62.5 mtt85 -95.88 151.86 19.02 Favored 'General case' 0 CA--C 1.474 -1.964 0 CA-C-N 115.77 -0.65 . . . . 71.510000000000005 109.813 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.564 HD21 ' SG ' ' A' ' 5' ' ' CYS . 47.6 mt -113.23 122.67 48.17 Favored 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 108.477 -0.934 . . . . 73.400000000000006 108.477 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 129.09 45.32 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 106.677 -1.601 . . . . 52.530000000000001 106.677 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 9.2 t -112.45 164.04 13.74 Favored 'General case' 0 C--N 1.277 -2.545 0 C-N-CA 119.357 -0.937 . . . . 40.119999999999997 110.148 -171.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' B' ' 102' ' ' THR . 15.7 ptm180 . . . . . 0 C--N 1.307 -1.272 0 CA-C-O 118.535 -0.745 . . . . 73.349999999999994 109.664 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 108.845 -0.798 . . . . 62.049999999999997 108.845 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 111.85 14.41 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 119.993 -0.683 . . . . 53.219999999999999 109.439 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 m -122.72 166.97 14.07 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.773 -1.566 . . . . 73.420000000000002 106.773 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -155.42 144.67 20.94 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.538 0.209 . . . . 75.450000000000003 110.964 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' B' ' 129' ' ' LEU . 18.3 m -94.38 108.05 19.98 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.911 -0.774 . . . . 74.109999999999999 108.911 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -125.9 159.9 31.34 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.663 -0.815 . . . . 75.120000000000005 110.888 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.461 HG21 ' NE ' ' A' ' 25' ' ' ARG . 24.6 p -98.68 8.2 45.21 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 112.534 0.568 . . . . 64.319999999999993 112.534 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.76 -157.97 7.38 Favored Glycine 0 N--CA 1.419 -2.448 0 C-N-CA 120.202 -0.999 . . . . 60.009999999999998 111.43 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -97.46 164.25 12.52 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 109.684 -0.487 . . . . 65.010000000000005 109.684 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.22 148.1 47.56 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 120.61 -0.436 . . . . 73.439999999999998 110.15 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 81.37 1.03 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.066 0.936 . . . . 60.140000000000001 111.945 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 t 173.72 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.373 -1.74 . . . . 74.239999999999995 107.046 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 15' ' ' SER . 30.4 mmm180 58.0 -177.39 0.07 Allowed 'General case' 0 C--N 1.364 1.201 0 CA-C-N 115.282 -0.872 . . . . 74.230000000000004 110.857 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 69.82 -26.2 0.15 Allowed 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 124.095 0.958 . . . . 74.25 112.6 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 35.3 t -79.91 6.22 11.79 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 124.501 1.121 . . . . 42.009999999999998 113.087 -174.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 19' ' ' VAL . 3.5 tt -77.74 114.96 17.11 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.053 -1.832 . . . . 64.209999999999994 106.053 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 p -111.7 -19.83 12.33 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-N 114.108 -1.405 . . . . 51.549999999999997 111.823 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.13 164.37 37.41 Favored Glycine 0 N--CA 1.421 -2.308 0 N-CA-C 110.192 -1.163 . . . . 44.219999999999999 110.192 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 16' ' ' LEU . 18.9 m -136.31 157.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.116 0.484 . . . . 71.140000000000001 110.884 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.4 p -147.46 122.71 10.24 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 114.993 -1.003 . . . . 61.539999999999999 109.432 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.86 121.62 39.99 Favored 'General case' 0 N--CA 1.415 -2.176 0 N-CA-C 108.03 -1.1 . . . . 52.100000000000001 108.03 177.348 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -134.36 128.89 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.057 0 CA-C-N 114.238 -1.346 . . . . 75.340000000000003 107.765 -175.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p 55.93 31.46 17.88 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.308 1.443 . . . . 74.340000000000003 112.727 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.09 11.03 84.86 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.163 -0.542 . . . . 55.450000000000003 112.134 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' NE ' HG21 ' A' ' 7' ' ' THR . 40.7 ttt180 -120.48 135.51 55.04 Favored 'General case' 0 N--CA 1.421 -1.898 0 N-CA-C 106.711 -1.588 . . . . 64.530000000000001 106.711 -177.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.12 123.13 37.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.88 -0.728 . . . . 72.019999999999996 109.6 -174.15 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CE2' HD13 ' B' ' 122' ' ' ILE . 87.3 m-85 -103.98 117.03 33.34 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 115.428 -0.805 . . . . 65.150000000000006 110.294 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -96.14 142.94 27.72 Favored 'General case' 0 CA--C 1.48 -1.744 0 N-CA-C 108.847 -0.797 . . . . 74.340000000000003 108.847 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.686 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.3 mt -108.69 108.08 18.8 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-N 115.736 -0.665 . . . . 55.399999999999999 109.462 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 15' ' ' SER 0.27 27.8 p -114.9 142.35 46.71 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.662 -0.866 . . . . 72.239999999999995 108.662 172.081 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -138.91 164.58 29.31 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.768 -0.773 . . . . 71.25 112.247 -164.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.962 -0.755 . . . . 65.219999999999999 108.962 177.896 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 120.706 0.289 . . . . 65.310000000000002 110.649 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.56 ' HB ' ' HG2' ' B' ' 132' ' ' ARG . 61.5 m -131.27 111.82 12.23 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.887 -1.153 . . . . 50.130000000000003 107.887 171.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.0 m -120.11 159.87 23.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.162 -1.422 . . . . 64.120000000000005 107.162 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.72 148.47 22.69 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.881 0.372 . . . . 73.349999999999994 110.853 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.686 ' SG ' HD21 ' A' ' 29' ' ' LEU . 37.4 m -85.76 127.5 34.55 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.156 -0.929 . . . . 72.450000000000003 110.234 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.53 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -136.77 142.85 43.0 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 121.09 0.471 . . . . 75.549999999999997 112.19 178.006 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 72.4 p -76.57 -8.61 57.56 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 113.873 1.064 . . . . 73.129999999999995 113.873 -171.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' GLY . . . . . 0.405 ' HA2' HH11 ' B' ' 128' ' ' ARG . . . -160.68 -65.73 0.02 OUTLIER Glycine 0 CA--C 1.469 -2.841 0 C-N-CA 119.369 -1.396 . . . . 72.450000000000003 111.58 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -135.24 178.16 7.25 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 120.314 -0.554 . . . . 72.099999999999994 109.789 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.53 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.5 p . . . . . 0 C--N 1.299 -1.595 0 N-CA-C 107.814 -1.18 . . . . 55.340000000000003 107.814 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 34.0 t . . . . . 0 N--CA 1.425 -1.704 0 N-CA-C 112.34 0.496 . . . . 51.219999999999999 112.34 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.492 HD21 HG13 ' B' ' 119' ' ' VAL . 4.3 tt -84.39 111.4 19.41 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 103.63 -2.73 . . . . 72.230000000000004 103.63 167.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.7 p -103.73 -11.0 17.89 Favored 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 115.029 -0.987 . . . . 64.319999999999993 113.326 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.58 164.49 34.81 Favored Glycine 0 CA--C 1.476 -2.391 0 C-N-CA 119.719 -1.229 . . . . 64.200000000000003 111.059 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.492 HG13 HD21 ' B' ' 116' ' ' LEU . 15.4 m -141.12 143.46 28.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 121.476 0.655 . . . . 62.399999999999999 110.891 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 4.0 p -142.53 122.24 13.42 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 114.814 -1.084 . . . . 53.329999999999998 109.555 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.65 123.67 41.65 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.523 -1.288 . . . . 74.219999999999999 107.523 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' A' ' 27' ' ' TYR . 40.5 mt -135.95 128.97 47.11 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.158 0 N-CA-C 107.751 -1.203 . . . . 75.5 107.751 -173.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 71.7 p 52.35 32.04 10.46 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.391 1.476 . . . . 60.229999999999997 113.383 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 16.82 73.18 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 120.79 -0.719 . . . . 71.040000000000006 112.019 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.47 ' CZ ' HG21 ' B' ' 107' ' ' THR . 63.3 ttt180 -128.29 139.65 52.31 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 107.133 -1.432 . . . . 75.040000000000006 107.133 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.1 OUTLIER -94.11 130.76 40.17 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 119.647 -0.821 . . . . 65.239999999999995 109.339 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.447 ' HB2' ' SG ' ' B' ' 120' ' ' CYS . 97.0 m-85 -114.65 108.83 17.33 Favored 'General case' 0 C--N 1.277 -2.547 0 CA-C-N 115.173 -0.921 . . . . 72.25 109.113 176.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.444 ' HG2' HG12 ' B' ' 119' ' ' VAL . 56.7 mtt85 -92.83 151.86 19.75 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.419 -0.81 . . . . 73.200000000000003 109.33 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.4 mt -112.92 136.73 52.25 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 108.769 -0.826 . . . . 74.109999999999999 108.769 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' B' ' 115' ' ' SER . 6.3 p -133.12 140.07 47.43 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.303 -1.369 . . . . 75.450000000000003 107.303 171.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.8 t -142.59 151.83 41.92 Favored 'General case' 0 N--CA 1.421 -1.891 0 C-N-CA 118.366 -1.334 . . . . 73.510000000000005 111.575 -169.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.56 ' HG2' ' HB ' ' B' ' 102' ' ' THR . 39.0 ptt180 . . . . . 0 N--CA 1.432 -1.331 0 CA-C-N 115.469 -0.787 . . . . 61.43 108.964 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 110.235 -0.283 . . . . 73.209999999999994 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.0 m -122.9 112.27 17.65 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.965 -1.124 . . . . 54.439999999999998 107.965 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.1 m -122.32 165.59 16.02 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 107.593 -1.262 . . . . 32.439999999999998 107.593 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -160.76 152.36 19.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.074 -0.713 . . . . 75.200000000000003 109.074 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.637 ' SG ' HD21 ' B' ' 129' ' ' LEU . 34.3 m -89.14 109.09 20.0 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 123.789 0.681 . . . . 52.509999999999998 109.592 -176.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.2 ptt180 -94.53 138.61 32.22 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 121.56 0.695 . . . . 74.120000000000005 110.623 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 m -87.8 10.72 17.54 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.458 -1.246 . . . . 71.129999999999995 110.036 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . 178.78 -104.92 0.19 Allowed Glycine 0 N--CA 1.421 -2.329 0 N-CA-C 109.473 -1.451 . . . . 71.030000000000001 109.473 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -107.96 178.46 4.51 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.23 -0.656 . . . . 74.439999999999998 109.23 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' THR . 11.7 p -142.72 166.92 23.33 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.391 -0.966 . . . . 74.25 108.391 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.37 31.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.925 0.89 . . . . 70.530000000000001 112.059 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.5 t -169.65 36.64 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.69 -1.596 . . . . 54.5 106.69 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.95 85.14 1.26 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.155 -0.929 . . . . 71.299999999999997 110.341 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.02 18.07 0.37 Allowed 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.243 -1.762 . . . . 64.230000000000004 106.243 175.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -145.15 90.64 2.06 Favored 'General case' 0 N--CA 1.418 -2.071 0 CA-C-N 114.813 -1.085 . . . . 74.030000000000001 110.19 -176.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 19' ' ' VAL . 4.7 tt -102.19 110.75 22.79 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 105.218 -2.141 . . . . 74.450000000000003 105.218 170.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -105.72 -13.77 15.45 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.937 -0.574 . . . . 72.140000000000001 112.229 -174.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.89 164.15 34.1 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.615 -0.994 . . . . 63.219999999999999 110.615 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 16' ' ' LEU . 12.3 m -136.52 156.6 35.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 CA-C-O 121.49 0.662 . . . . 73.340000000000003 111.228 175.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.39 123.02 8.57 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 114.586 -1.188 . . . . 72.519999999999996 110.232 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.16 123.44 40.92 Favored 'General case' 0 CA--C 1.478 -1.818 0 N-CA-C 107.815 -1.18 . . . . 72.409999999999997 107.815 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' B' ' 127' ' ' TYR . 34.6 mt -134.04 124.94 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.15 0 CA-C-N 114.718 -1.128 . . . . 54.219999999999999 108.683 -173.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.0 p 52.56 31.74 10.49 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.236 1.414 . . . . 72.299999999999997 112.881 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.93 2.71 86.08 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 116.282 -0.417 . . . . 74.420000000000002 112.544 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -111.9 133.65 53.96 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.02 -1.474 . . . . 65.430000000000007 107.02 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.439 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.09 125.68 38.87 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.577 -0.849 . . . . 63.399999999999999 110.458 -174.285 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CE2' HD13 ' B' ' 122' ' ' ILE . 71.4 m-85 -107.38 130.09 54.84 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.127 -0.942 . . . . 70.329999999999998 110.614 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.475 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 70.5 mtt85 -109.41 155.47 21.22 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 109.124 -0.695 . . . . 74.010000000000005 109.124 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.694 HD21 ' SG ' ' B' ' 105' ' ' CYS . 52.3 mt -113.53 119.15 36.53 Favored 'General case' 0 C--N 1.267 -3.019 0 N-CA-C 108.871 -0.788 . . . . 72.540000000000006 108.871 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.5 p -119.39 120.05 35.75 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 107.243 -1.391 . . . . 73.400000000000006 107.243 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 t -112.57 148.41 34.6 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.162 -1.015 . . . . 74.239999999999995 110.82 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--O 1.254 1.303 0 CA-C-N 116.086 -0.506 . . . . 75.140000000000001 109.846 -176.685 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.404 0 CA-C-O 120.736 0.303 . . . . 64.200000000000003 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 19.6 m -127.23 112.11 14.73 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.762 -0.829 . . . . 74.230000000000004 108.762 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 32.0 m -126.82 168.81 13.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.222 -1.399 . . . . 53.520000000000003 107.222 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -160.17 148.21 16.71 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 120.799 0.333 . . . . 74.200000000000003 111.867 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.694 ' SG ' HD21 ' A' ' 29' ' ' LEU . 19.8 m -89.6 112.48 23.71 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.427 -0.806 . . . . 71.340000000000003 109.91 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' B' ' 130' ' ' CYS . 1.1 ppt_? -122.99 142.08 51.24 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 120.86 0.362 . . . . 62.219999999999999 111.646 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 48.5 p -89.45 2.67 54.21 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 121.338 0.589 . . . . 65.209999999999994 112.421 -173.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.38 -119.58 1.13 Allowed Glycine 0 N--CA 1.405 -3.414 0 N-CA-C 109.168 -1.573 . . . . 73.319999999999993 109.168 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -105.39 178.61 4.51 Favored 'General case' 0 C--N 1.277 -2.566 0 N-CA-C 109.147 -0.686 . . . . 73.430000000000007 109.147 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.298 -1.657 0 N-CA-C 108.519 -0.919 . . . . 71.219999999999999 108.519 175.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.399 -2.996 0 N-CA-C 102.65 -3.093 . . . . 73.430000000000007 102.65 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.614 HD21 HG13 ' B' ' 119' ' ' VAL . 4.4 tt -80.8 114.47 19.71 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 107.397 -1.334 . . . . 61.200000000000003 107.397 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.1 p -110.56 -13.97 14.15 Favored 'General case' 0 C--N 1.264 -3.114 0 CA-C-N 114.167 -1.379 . . . . 62.200000000000003 111.71 -173.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.43 163.77 35.95 Favored Glycine 0 N--CA 1.415 -2.74 0 N-CA-C 111.14 -0.784 . . . . 74.340000000000003 111.14 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.614 HG13 HD21 ' B' ' 116' ' ' LEU . 3.4 m -140.88 151.5 20.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 123.769 0.828 . . . . 74.209999999999994 110.856 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.34 116.02 5.91 Favored 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 114.876 -1.056 . . . . 51.409999999999997 108.511 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.446 ' HB2' HD22 ' B' ' 126' ' ' LEU . 32.8 tt0 -97.19 107.75 20.34 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 106.87 -1.53 . . . . 72.099999999999994 106.87 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.424 HD13 ' CE2' ' A' ' 27' ' ' TYR . 47.2 mt -122.74 135.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 114.6 -1.182 . . . . 75.230000000000004 108.258 -172.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 66.1 p 55.83 32.56 19.84 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.283 1.033 . . . . 74.120000000000005 111.868 -178.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.08 19.07 76.96 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.538 -0.756 . . . . 73.439999999999998 112.594 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.473 ' NE ' HG21 ' B' ' 107' ' ' THR . 56.3 ttt180 -124.08 136.94 54.59 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 105.963 -1.866 . . . . 74.310000000000002 105.963 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.54 120.2 33.53 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.813 -1.155 . . . . 73.040000000000006 108.988 -174.327 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 22' ' ' ILE . 88.1 m-85 -101.9 110.16 22.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.84 -0.618 . . . . 61.329999999999998 110.412 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.409 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 62.2 mtt85 -94.74 143.25 26.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 108.997 -0.742 . . . . 74.040000000000006 108.997 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.637 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.7 mt -105.97 124.49 49.66 Favored 'General case' 0 C--N 1.267 -3.015 0 CA-C-N 115.856 -0.611 . . . . 70.420000000000002 109.618 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.483 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 11.7 p -122.46 142.11 50.91 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 107.513 -1.291 . . . . 54.240000000000002 107.513 170.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.7 t -136.82 162.26 33.7 Favored 'General case' 0 N--CA 1.416 -2.158 0 C-N-CA 118.958 -1.097 . . . . 64.420000000000002 110.034 -172.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.432 -1.329 0 CA-C-N 116.256 -0.429 . . . . 74.049999999999997 110.542 -179.158 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.091 -0.707 . . . . 74.310000000000002 109.091 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.3 m -125.82 112.07 15.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.765 -1.198 . . . . 65.310000000000002 107.765 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.8 m -128.7 165.42 20.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 74.340000000000003 107.723 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -156.37 150.92 25.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.459 0.171 . . . . 74.239999999999995 111.402 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.4 m -95.91 121.14 37.33 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 123.695 0.622 . . . . 61.350000000000001 109.986 -175.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 ptp180 -142.73 155.9 44.94 Favored 'General case' 0 C--O 1.202 -1.41 0 N-CA-C 110.21 -0.293 . . . . 73.040000000000006 110.21 175.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.403 HG21 ' NE ' ' A' ' 25' ' ' ARG . 23.7 p -92.03 9.33 33.7 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 112.774 0.657 . . . . 72.400000000000006 112.774 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.24 -146.95 5.01 Favored Glycine 0 N--CA 1.427 -1.964 0 C-N-CA 120.233 -0.984 . . . . 64.310000000000002 112.629 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -98.07 173.36 7.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 123.363 0.665 . . . . 73.540000000000006 109.605 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 9.5 p -143.83 159.94 41.64 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 120.539 -0.464 . . . . 65.450000000000003 110.69 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 86.28 1.61 Allowed 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 121.746 0.784 . . . . 72.340000000000003 111.133 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t 173.15 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 125.875 1.67 . . . . 74.510000000000005 106.965 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 57.15 132.01 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 0 N-CA-C 115.883 1.809 . . . . 71.310000000000002 115.883 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 69.69 7.58 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.707 -1.133 . . . . 71.230000000000004 113.739 175.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -93.46 26.21 3.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 106.851 -1.537 . . . . 64.150000000000006 106.851 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -78.35 124.21 27.85 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 104.81 -2.293 . . . . 74.040000000000006 104.81 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -118.86 -8.49 10.29 Favored 'General case' 0 C--N 1.271 -2.832 0 CA-C-N 115.359 -0.837 . . . . 74.230000000000004 112.631 -172.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.3 34.67 Favored Glycine 0 N--CA 1.419 -2.465 0 N-CA-C 110.82 -0.912 . . . . 54.229999999999997 110.82 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.496 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.4 m -136.45 154.82 33.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-O 120.995 0.426 . . . . 63.409999999999997 110.666 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.2 p -148.41 115.93 6.26 Favored 'General case' 0 C--N 1.28 -2.448 0 CA-C-N 115.248 -0.887 . . . . 31.25 110.182 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.614 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.06 123.3 40.76 Favored 'General case' 0 N--CA 1.402 -2.873 0 N-CA-C 107.738 -1.208 . . . . 70.019999999999996 107.738 179.589 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.471 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -129.84 123.45 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 114.259 -1.337 . . . . 51.149999999999999 108.714 -171.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.9 p 50.86 31.99 6.74 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 125.222 1.409 . . . . 51.009999999999998 113.467 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.2 -0.56 64.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.117 -0.564 . . . . 74.400000000000006 113.191 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' NE ' HG21 ' A' ' 7' ' ' THR . 41.8 ttt180 -113.12 134.55 54.5 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.97 -1.122 . . . . 72.140000000000001 107.97 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.95 118.53 31.6 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.126 -0.694 . . . . 70.019999999999996 109.126 -174.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 78.4 m-85 -101.26 127.82 47.69 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 123.258 0.623 . . . . 72.420000000000002 110.619 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -102.02 143.93 31.25 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 123.455 0.702 . . . . 74.340000000000003 109.904 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.725 HD21 ' SG ' ' B' ' 105' ' ' CYS . 58.1 mt -107.83 108.03 19.03 Favored 'General case' 0 N--CA 1.396 -3.143 0 N-CA-C 107.495 -1.298 . . . . 75.129999999999995 107.495 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -116.03 127.88 55.26 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 107.101 -1.444 . . . . 63.310000000000002 107.101 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -116.12 158.09 23.76 Favored 'General case' 0 C--N 1.281 -2.375 0 C-N-CA 119.899 -0.72 . . . . 40.399999999999999 110.164 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.259 1.588 0 N-CA-C 109.777 -0.453 . . . . 62.310000000000002 109.777 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 109.74 -0.467 . . . . 71.219999999999999 109.74 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' B' ' 132' ' ' ARG . 95.5 m -137.91 112.76 9.01 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.981 -0.748 . . . . 70.200000000000003 108.981 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.7 m -120.53 163.59 17.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.668 -1.604 . . . . 52.140000000000001 106.668 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -153.58 146.3 24.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 120.788 0.328 . . . . 54.439999999999998 111.703 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.725 ' SG ' HD21 ' A' ' 29' ' ' LEU . 27.8 m -88.99 102.76 15.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.33 -0.85 . . . . 64.519999999999996 110.091 -175.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.56 ' NH1' ' HA ' ' B' ' 109' ' ' ARG . 3.9 ppt_? -113.05 137.16 51.84 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 121.814 0.816 . . . . 73.349999999999994 112.741 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 36.5 p -88.64 -0.63 57.46 Favored 'General case' 0 C--N 1.267 -3.003 0 CA-C-N 114.883 -1.053 . . . . 73.040000000000006 113.782 -171.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.15 -88.46 0.13 Allowed Glycine 0 CA--C 1.47 -2.738 0 N-CA-C 109.796 -1.321 . . . . 35.399999999999999 109.796 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.56 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 28.3 ptt180 -136.56 178.41 7.09 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.235 -0.654 . . . . 75.209999999999994 109.235 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.485 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 6.2 p . . . . . 0 N--CA 1.426 -1.637 0 N-CA-C 107.806 -1.183 . . . . 72.219999999999999 107.806 173.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 20.2 t . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 107.609 -1.256 . . . . 60.350000000000001 107.609 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.461 HD21 HG13 ' B' ' 119' ' ' VAL . 3.6 tt -77.93 121.85 24.71 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 105.63 -1.989 . . . . 65.329999999999998 105.63 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.0 p -118.87 -5.11 10.62 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-N 114.913 -1.04 . . . . 75.409999999999997 112.572 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.09 164.09 33.89 Favored Glycine 0 N--CA 1.43 -1.704 0 N-CA-C 110.939 -0.864 . . . . 70.25 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.461 HG13 HD21 ' B' ' 116' ' ' LEU . 5.3 m -140.57 151.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-O 121.199 0.523 . . . . 75.319999999999993 111.292 176.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.4 p -153.07 117.05 4.81 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.603 -1.181 . . . . 74.519999999999996 109.252 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.511 ' HB2' HD22 ' B' ' 126' ' ' LEU . 41.5 tt0 -96.51 112.31 24.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.077 -1.453 . . . . 62.32 107.077 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.433 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 36.2 mt -127.35 135.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 N-CA-C 107.867 -1.161 . . . . 73.019999999999996 107.867 -173.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 48.1 p 53.98 32.41 15.36 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.384 1.074 . . . . 72.230000000000004 112.455 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.86 -3.79 78.03 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-N 115.835 -0.621 . . . . 62.329999999999998 113.41 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.632 ' NE ' HG21 ' B' ' 107' ' ' THR . 61.8 ttt180 -106.09 138.15 42.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.43 -1.322 . . . . 71.340000000000003 107.43 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.89 117.86 30.67 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.629 -0.878 . . . . 74.519999999999996 108.629 -175.083 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.471 ' CE2' HD13 ' A' ' 22' ' ' ILE . 81.1 m-85 -98.99 106.58 18.85 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.361 0.601 . . . . 74.540000000000006 110.532 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.525 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 66.0 mtt85 -91.95 139.55 30.54 Favored 'General case' 0 CA--C 1.478 -1.801 0 N-CA-C 108.786 -0.82 . . . . 74.409999999999997 108.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.668 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.1 mt -104.29 122.38 45.29 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 108.346 -0.983 . . . . 64.530000000000001 108.346 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.516 ' HB3' HH21 ' B' ' 106' ' ' ARG . 21.1 p -126.68 143.35 51.26 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.56 -1.274 . . . . 75.450000000000003 107.56 171.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.2 t -136.83 153.27 50.84 Favored 'General case' 0 N--CA 1.406 -2.638 0 C-N-CA 118.691 -1.204 . . . . 54.340000000000003 111.511 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 102' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.933 0 CA-C-N 115.484 -0.78 . . . . 62.119999999999997 110.29 175.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 109.316 -0.624 . . . . 65.349999999999994 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -130.06 112.16 13.19 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.222 -0.658 . . . . 72.439999999999998 109.222 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -122.0 168.19 12.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.792 -1.188 . . . . 61.409999999999997 107.792 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -159.47 134.19 7.93 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.717 0.294 . . . . 74.329999999999998 111.189 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.624 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.3 m -83.42 120.38 25.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.911 -0.774 . . . . 62.43 108.911 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -138.36 160.79 38.59 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.565 -0.854 . . . . 73.420000000000002 111.276 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.51 HG21 ' NE ' ' A' ' 25' ' ' ARG . 21.1 p -92.84 5.12 52.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 113.164 0.801 . . . . 63.130000000000003 113.164 -174.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.33 -148.95 4.86 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.908 -1.139 . . . . 62.409999999999997 111.435 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -97.77 161.03 13.95 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 120.787 0.327 . . . . 74.040000000000006 110.365 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 p -125.6 168.6 13.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.903 -1.147 . . . . 73.5 107.903 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.3 65.13 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 118.226 0.466 . . . . 71.200000000000003 110.467 -172.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -80.96 88.46 5.91 Favored 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.101 -1.814 . . . . 71.239999999999995 106.101 167.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -80.0 154.43 28.21 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.372 -0.83 . . . . 75.439999999999998 109.044 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 69.69 12.44 8.06 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 122.77 1.271 . . . . 72.209999999999994 110.299 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -90.89 12.65 18.8 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.819 -1.082 . . . . 74.540000000000006 108.183 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 19' ' ' VAL . 4.0 tt -77.2 112.36 13.81 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 105.598 -2.001 . . . . 72.420000000000002 105.598 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -113.72 -10.55 13.04 Favored 'General case' 0 C--N 1.27 -2.865 0 CA-C-N 113.984 -1.462 . . . . 75.120000000000005 111.19 -172.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.19 164.03 34.37 Favored Glycine 0 N--CA 1.408 -3.173 0 N-CA-C 109.816 -1.313 . . . . 64.120000000000005 109.816 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.544 HG13 HD21 ' A' ' 16' ' ' LEU . 27.2 m -139.92 159.75 26.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 121.166 0.508 . . . . 73.200000000000003 109.912 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 p -147.35 126.04 12.59 Favored 'General case' 0 C--N 1.27 -2.87 0 CA-C-N 115.176 -0.92 . . . . 53.340000000000003 109.31 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.9 120.68 38.73 Favored 'General case' 0 N--CA 1.405 -2.694 0 N-CA-C 107.729 -1.211 . . . . 65.109999999999999 107.729 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' B' ' 127' ' ' TYR . 50.2 mt -133.97 126.59 50.55 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 114.426 -1.261 . . . . 60.439999999999998 108.287 -173.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 p 55.96 31.7 18.42 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.294 1.438 . . . . 74.200000000000003 112.26 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.06 20.47 79.32 Favored Glycine 0 CA--C 1.504 -0.621 0 N-CA-C 111.856 -0.498 . . . . 74.219999999999999 111.856 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' NE ' HG21 ' A' ' 7' ' ' THR . 66.5 ttt180 -127.56 138.8 52.99 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.693 -1.595 . . . . 72.400000000000006 106.693 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -93.91 129.24 40.42 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.599 -0.841 . . . . 71.239999999999995 111.463 -174.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 83.2 m-85 -111.32 117.13 32.29 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 114.686 -1.143 . . . . 70.140000000000001 109.719 176.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -97.98 144.45 27.49 Favored 'General case' 0 CA--C 1.471 -2.061 0 N-CA-C 108.959 -0.756 . . . . 74.219999999999999 108.959 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.695 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.7 mt -108.55 108.21 19.02 Favored 'General case' 0 N--CA 1.403 -2.824 0 CA-C-N 115.546 -0.752 . . . . 75.430000000000007 109.302 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' SER . 27.1 p -112.27 138.51 48.87 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.195 -1.039 . . . . 65.329999999999998 108.195 172.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 t -143.63 156.31 44.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 119.713 -0.795 . . . . 72.109999999999999 111.417 -167.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.255 1.351 0 CA-C-N 115.672 -0.695 . . . . 55.329999999999998 109.707 -178.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.124 -0.324 . . . . 74.310000000000002 110.124 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 87.0 m -137.36 112.06 8.81 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.778 -0.823 . . . . 74.120000000000005 108.778 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 31.7 m -124.04 164.84 18.57 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.774 -1.195 . . . . 70.099999999999994 107.774 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -156.52 143.66 18.9 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.628 0.251 . . . . 73.530000000000001 110.926 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.695 ' SG ' HD21 ' A' ' 29' ' ' LEU . 49.1 m -79.77 113.16 17.71 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.502 -0.772 . . . . 41.329999999999998 109.138 -177.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.822 ' HD3' ' SG ' ' B' ' 130' ' ' CYS . 13.2 mtm180 -93.75 151.54 19.55 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 107.935 -1.135 . . . . 74.340000000000003 107.935 -178.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 40.8 p -103.75 13.71 32.49 Favored 'General case' 0 C--N 1.269 -2.927 0 CA-C-O 122.485 1.136 . . . . 74.0 109.083 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' GLY . . . . . 0.502 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -179.06 -102.93 0.16 Allowed Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 113.884 -1.507 . . . . 72.329999999999998 109.386 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -118.8 167.4 11.73 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.26 0.624 . . . . 75.319999999999993 110.553 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.533 ' HB3' ' HD2' ' B' ' 106' ' ' ARG . 26.3 p . . . . . 0 CA--C 1.489 -1.378 0 N-CA-C 108.485 -0.931 . . . . 75.129999999999995 108.485 176.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.425 -1.7 0 CA-C-O 121.565 0.698 . . . . 45.229999999999997 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.631 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -101.04 115.12 29.73 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 103.688 -2.708 . . . . 70.510000000000005 103.688 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.0 p -111.34 -4.82 14.78 Favored 'General case' 0 C--N 1.274 -2.712 0 CA-C-N 115.754 -0.657 . . . . 75.150000000000006 112.583 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 162.84 32.17 Favored Glycine 0 N--CA 1.42 -2.433 0 C-N-CA 120.608 -0.806 . . . . 71.209999999999994 111.367 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.631 HG13 HD21 ' B' ' 116' ' ' LEU . 3.1 m -143.56 143.54 24.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 123.508 0.723 . . . . 73.209999999999994 111.132 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.2 p -146.21 116.25 7.37 Favored 'General case' 0 C--N 1.273 -2.722 0 CA-C-N 114.823 -1.081 . . . . 73.010000000000005 109.621 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.552 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -97.61 121.78 39.92 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 108.075 -1.083 . . . . 72.219999999999999 108.075 177.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.522 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 20.2 mt -135.25 130.73 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.94 0 CA-C-N 114.313 -1.312 . . . . 62.340000000000003 108.148 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p 54.78 31.36 15.38 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 125.845 1.658 . . . . 62.229999999999997 112.567 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.66 14.03 78.79 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 120.971 -0.633 . . . . 74.200000000000003 112.768 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.454 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 65.6 ttt180 -122.99 136.73 54.97 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 107.212 -1.403 . . . . 73.430000000000007 107.212 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.99 118.37 31.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 119.551 -0.86 . . . . 63.439999999999998 109.436 -175.516 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' B' ' 106' ' ' ARG . 95.6 m-85 -100.71 111.78 24.07 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.318 -0.856 . . . . 72.109999999999999 109.505 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 62.8 mtt85 -94.8 152.83 18.09 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 116.063 -0.517 . . . . 73.0 109.844 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.624 HD21 ' SG ' ' A' ' 5' ' ' CYS . 55.2 mt -115.65 124.29 50.52 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 108.994 -0.743 . . . . 62.409999999999997 108.994 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.822 ' SG ' ' HD3' ' B' ' 106' ' ' ARG . 29.9 p -124.46 142.39 51.36 Favored 'General case' 0 CA--C 1.474 -1.951 0 N-CA-C 105.152 -2.166 . . . . 62.229999999999997 105.152 170.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 34.3 t -142.31 155.86 45.22 Favored 'General case' 0 N--CA 1.411 -2.421 0 C-N-CA 118.034 -1.466 . . . . 60.240000000000002 111.843 -171.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 N--CA 1.413 -2.3 0 N-CA-C 107.941 -1.133 . . . . 71.540000000000006 107.941 176.216 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 110.173 -0.306 . . . . 74.230000000000004 110.173 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 m -119.1 112.62 19.77 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 107.823 -1.177 . . . . 72.510000000000005 107.823 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.5 m -121.97 164.52 17.47 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.941 -1.503 . . . . 42.310000000000002 106.941 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -154.53 150.84 28.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 118.112 0.415 . . . . 64.049999999999997 111.683 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.7 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.9 m -98.36 120.02 38.04 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 123.876 0.735 . . . . 73.5 109.96 -174.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 14.2 ptp180 -137.02 168.32 19.82 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.784 0.661 . . . . 75.430000000000007 112.784 176.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 67.4 p -87.53 -12.55 45.5 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.962 -0.563 . . . . 45.039999999999999 112.025 -174.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -146.9 -131.05 2.15 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.022 -1.085 . . . . 62.25 112.846 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -97.84 169.35 9.72 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 122.769 0.428 . . . . 73.239999999999995 110.731 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 8.3 p -135.38 160.43 38.44 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.08 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -74.92 79.03 2.15 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.345 0.593 . . . . 32.509999999999998 111.036 -178.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 12.1 t 174.11 -44.99 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 114.111 -1.404 . . . . 74.150000000000006 108.575 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 60.42 -179.68 0.1 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 123.667 0.787 . . . . 75.200000000000003 111.07 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 70.61 -48.28 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.765 1.226 . . . . 65.030000000000001 113.416 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 31.3 m -73.72 25.77 0.07 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 124.842 1.257 . . . . 72.109999999999999 113.089 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.52 112.96 16.12 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 104.79 -2.3 . . . . 55.439999999999998 104.79 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -115.75 -1.79 12.57 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.827 -1.079 . . . . 63.130000000000003 112.796 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.26 163.49 33.52 Favored Glycine 0 N--CA 1.415 -2.74 0 C-N-CA 120.314 -0.946 . . . . 73.129999999999995 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.01 152.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 C-N-CA 123.196 0.598 . . . . 63.210000000000001 110.176 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.8 p -148.21 119.9 8.05 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.996 -1.002 . . . . 74.109999999999999 109.63 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.41 117.75 32.35 Favored 'General case' 0 N--CA 1.413 -2.275 0 N-CA-C 107.836 -1.172 . . . . 75.150000000000006 107.836 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.448 HD13 ' CE2' ' B' ' 127' ' ' TYR . 59.6 mt -126.92 123.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 CA-C-N 113.44 -1.709 . . . . 74.109999999999999 109.337 -171.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p 51.69 32.09 8.84 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.132 1.373 . . . . 74.439999999999998 113.548 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.93 10.34 64.81 Favored Glycine 0 C--O 1.242 0.618 0 C-N-CA 120.546 -0.835 . . . . 45.520000000000003 112.817 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.1 136.65 54.38 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 108.224 -1.028 . . . . 73.549999999999997 108.224 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.53 121.91 35.42 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.724 -0.843 . . . . 73.439999999999998 108.724 -176.788 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 72.1 m-85 -103.65 123.97 47.97 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 115.681 -0.69 . . . . 75.239999999999995 110.361 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 65.2 mtt85 -102.85 143.4 32.51 Favored 'General case' 0 CA--C 1.464 -2.337 0 CA-C-N 115.293 -0.867 . . . . 72.430000000000007 109.337 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.735 HD21 ' SG ' ' B' ' 105' ' ' CYS . 47.2 mt -108.74 107.92 18.55 Favored 'General case' 0 N--CA 1.399 -3.013 0 N-CA-C 107.671 -1.233 . . . . 73.25 107.671 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' SER . 28.1 p -112.53 121.28 44.36 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 107.338 -1.356 . . . . 54.539999999999999 107.338 173.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -109.21 158.41 17.85 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.955 -0.698 . . . . 54.43 110.738 -169.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--O 1.259 1.565 0 CA-C-N 116.334 -0.394 . . . . 75.150000000000006 110.053 -177.775 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.275 -0.639 . . . . 43.130000000000003 109.275 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 42.4 m -123.44 111.34 16.22 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 108.79 -0.819 . . . . 73.510000000000005 108.79 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 33.9 m -125.62 165.84 17.81 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.638 -1.615 . . . . 72.420000000000002 106.638 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -160.35 153.98 22.45 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 118.311 0.505 . . . . 72.420000000000002 111.9 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.735 ' SG ' HD21 ' A' ' 29' ' ' LEU . 32.2 m -94.52 110.49 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.606 -0.724 . . . . 73.030000000000001 110.439 -174.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.582 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.318 2.9 ppt_? -116.64 136.19 53.17 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 114.895 1.443 . . . . 71.540000000000006 114.895 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 76.3 p -78.04 -1.91 34.62 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.761 -1.563 . . . . 72.310000000000002 112.355 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.93 -98.26 0.15 Allowed Glycine 0 CA--C 1.472 -2.604 0 N-CA-C 109.307 -1.517 . . . . 73.540000000000006 109.307 -175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.473 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.4 ptt180 -124.92 178.34 5.56 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 116.928 0.364 . . . . 72.329999999999998 110.215 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.539 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 7.5 p . . . . . 0 C--O 1.248 1.026 0 N-CA-C 108.962 -0.755 . . . . 75.420000000000002 108.962 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.418 -2.07 0 CA-C-O 121.445 0.641 . . . . 62.329999999999998 111.555 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.539 HD21 HG13 ' B' ' 119' ' ' VAL . 3.5 tt -99.87 117.03 33.32 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 103.647 -2.723 . . . . 51.210000000000001 103.647 169.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.7 p -107.95 -7.35 16.23 Favored 'General case' 0 C--N 1.278 -2.541 0 N-CA-C 113.76 1.022 . . . . 60.450000000000003 113.76 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.32 163.58 32.94 Favored Glycine 0 N--CA 1.424 -2.162 0 C-N-CA 120.235 -0.983 . . . . 71.310000000000002 110.937 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.539 HG13 HD21 ' B' ' 116' ' ' LEU . 6.3 m -137.68 146.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.463 0.649 . . . . 74.340000000000003 110.768 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.1 p -146.87 117.72 7.64 Favored 'General case' 0 C--N 1.27 -2.878 0 CA-C-N 114.965 -1.016 . . . . 65.019999999999996 109.737 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.488 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.1 OUTLIER -97.23 121.05 38.68 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.097 -1.446 . . . . 62.130000000000003 107.097 178.228 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.472 HD13 ' CE2' ' A' ' 27' ' ' TYR . 34.9 mt -131.76 124.82 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 0 CA-C-N 114.244 -1.344 . . . . 73.510000000000005 108.615 -172.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p 54.26 31.58 14.49 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 125.59 1.556 . . . . 44.149999999999999 113.068 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.63 18.42 61.91 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.754 -0.736 . . . . 62.210000000000001 112.609 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -127.88 136.87 51.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.236 -1.024 . . . . 73.340000000000003 108.236 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.03 121.32 35.39 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 119.758 -0.777 . . . . 74.120000000000005 109.584 -176.491 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.448 ' CE2' HD13 ' A' ' 22' ' ' ILE . 80.9 m-85 -103.67 113.84 27.66 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 115.416 -0.811 . . . . 74.230000000000004 109.793 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.506 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 58.8 mtt85 -97.98 142.72 29.35 Favored 'General case' 0 CA--C 1.472 -2.028 0 N-CA-C 108.186 -1.042 . . . . 71.549999999999997 108.186 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.7 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.6 mt -105.0 126.21 51.81 Favored 'General case' 0 C--N 1.262 -3.204 0 N-CA-C 108.382 -0.969 . . . . 65.019999999999996 108.382 -178.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.582 ' HB3' HH21 ' B' ' 106' ' ' ARG . 11.5 p -129.04 142.88 50.76 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 108.438 -0.949 . . . . 74.200000000000003 108.438 173.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 5.5 t -126.47 147.57 49.8 Favored 'General case' 0 N--CA 1.404 -2.772 0 N-CA-C 108.648 -0.871 . . . . 74.129999999999995 108.648 -174.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.304 -1.376 0 O-C-N 123.175 0.297 . . . . 62.439999999999998 111.253 -174.781 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 109.45 -0.574 . . . . 74.519999999999996 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.534 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 34.3 m -109.57 110.6 21.72 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.267 -1.012 . . . . 73.030000000000001 108.267 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' B' ' 117' ' ' SER . 7.2 m -132.03 160.34 36.16 Favored 'General case' 0 N--CA 1.418 -2.033 0 N-CA-C 105.065 -2.198 . . . . 74.5 105.065 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -157.69 151.77 24.44 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 118.203 0.456 . . . . 72.430000000000007 111.405 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.656 ' SG ' HD21 ' B' ' 129' ' ' LEU . 28.1 m -87.3 94.64 9.73 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 124.119 0.887 . . . . 74.030000000000001 110.128 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 12.5 ptt180 -93.0 139.38 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.378 -0.374 . . . . 75.510000000000005 111.545 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.03 0.36 53.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.227 -0.442 . . . . 44.530000000000001 111.159 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -156.29 -117.25 0.55 Allowed Glycine 0 N--CA 1.422 -2.286 0 N-CA-C 110.713 -0.955 . . . . 53.549999999999997 110.713 -174.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 38.7 ptt180 -111.4 177.81 4.54 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 116.989 0.394 . . . . 71.409999999999997 110.709 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 p -146.24 169.03 19.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.229 -1.767 . . . . 54.5 106.229 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -22.2 62.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.759 0.709 . . . . 50.219999999999999 110.269 -174.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -84.56 77.29 10.06 Favored 'General case' 0 N--CA 1.417 -2.117 0 CA-C-O 123.09 1.424 . . . . 60.509999999999998 108.414 170.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.23 153.63 42.86 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.471 -1.24 . . . . 73.430000000000007 110.735 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 73.58 -17.08 0.45 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.773 1.229 . . . . 72.219999999999999 111.585 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -85.79 75.13 10.09 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 122.212 1.006 . . . . 64.019999999999996 110.46 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.717 HD21 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -101.8 114.46 28.55 Favored 'General case' 0 N--CA 1.415 -2.212 0 N-CA-C 105.92 -1.881 . . . . 50.140000000000001 105.92 172.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -102.88 -15.78 16.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.837 -1.074 . . . . 73.129999999999995 111.224 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.32 34.7 Favored Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 110.732 -0.947 . . . . 51.020000000000003 110.732 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.717 HG13 HD21 ' A' ' 16' ' ' LEU . 4.1 m -143.14 149.58 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.025 0 CA-C-O 121.567 0.699 . . . . 53.340000000000003 112.531 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -152.93 114.88 4.34 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.062 -1.426 . . . . 74.109999999999999 108.39 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HB2' HD22 ' A' ' 26' ' ' LEU . 36.4 tt0 -96.67 107.86 20.38 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.797 -1.186 . . . . 71.349999999999994 107.797 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.454 HD13 ' CE2' ' B' ' 127' ' ' TYR . 28.0 mt -125.66 135.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-N 114.706 -1.133 . . . . 74.319999999999993 109.04 -170.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 52.48 32.86 12.11 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.575 1.15 . . . . 64.340000000000003 113.108 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.17 -2.12 87.6 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.731 -0.747 . . . . 73.040000000000006 112.811 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -108.4 143.04 37.87 Favored 'General case' 0 CA--C 1.454 -2.726 0 CA-C-O 121.12 0.486 . . . . 70.129999999999995 110.445 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -94.57 111.88 23.64 Favored 'General case' 0 C--N 1.258 -3.381 0 N-CA-C 106.269 -1.752 . . . . 62.109999999999999 106.269 178.441 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' B' ' 122' ' ' ILE . 81.2 m-85 -93.78 102.63 14.77 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-O 121.8 0.809 . . . . 74.439999999999998 109.756 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 58.1 mtt85 -90.85 146.19 24.14 Favored 'General case' 0 CA--C 1.47 -2.1 0 CA-C-N 114.885 -1.052 . . . . 74.219999999999999 108.32 177.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD11 ' SG ' ' B' ' 105' ' ' CYS . 51.6 mt -109.65 112.64 24.83 Favored 'General case' 0 C--N 1.254 -3.563 0 N-CA-C 108.246 -1.02 . . . . 61.240000000000002 108.246 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HB3' HH21 ' A' ' 6' ' ' ARG . 20.3 p -112.15 137.52 50.11 Favored 'General case' 0 CA--C 1.474 -1.957 0 N-CA-C 108.144 -1.058 . . . . 74.219999999999999 108.144 171.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.4 t -133.13 140.28 47.54 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.603 -0.888 . . . . 71.530000000000001 108.603 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 21.6 ptt180 . . . . . 0 C--N 1.318 -0.764 0 C-N-CA 120.393 -0.523 . . . . 74.420000000000002 111.109 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.525 0 CA-C-O 120.746 0.308 . . . . 51.439999999999998 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.9 m -112.8 111.99 23.16 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.605 -1.257 . . . . 71.439999999999998 107.605 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 47.2 m -118.53 157.8 26.62 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.61 -0.885 . . . . 61.039999999999999 108.61 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.17 137.11 16.27 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 120.992 0.425 . . . . 74.340000000000003 111.986 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.599 ' SG ' HD11 ' A' ' 29' ' ' LEU . 25.1 m -81.76 112.04 18.55 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.111 -0.949 . . . . 73.239999999999995 109.404 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.543 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.306 1.0 OUTLIER -118.04 136.26 53.66 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 114.33 1.233 . . . . 65.540000000000006 114.33 179.584 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 40.1 p -83.68 18.74 1.83 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 114.345 -1.298 . . . . 43.350000000000001 111.746 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.78 -114.13 0.3 Allowed Glycine 0 N--CA 1.405 -3.416 0 N-CA-C 109.588 -1.405 . . . . 65.010000000000005 109.588 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.492 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 40.0 ptt180 -115.51 178.6 4.24 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 122.965 0.506 . . . . 62.020000000000003 109.686 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.299 -1.622 0 N-CA-C 106.131 -1.803 . . . . 73.439999999999998 106.131 176.167 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.421 -1.888 0 N-CA-C 113.777 1.029 . . . . 64.230000000000004 113.777 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.509 HD21 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -101.97 112.63 25.34 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 104.65 -2.352 . . . . 73.219999999999999 104.65 165.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' SER . . . . . 0.438 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 14.8 m -101.27 -17.57 16.51 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 115.49 -0.777 . . . . 61.030000000000001 111.842 -171.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.88 35.13 Favored Glycine 0 N--CA 1.425 -2.095 0 C-N-CA 120.763 -0.732 . . . . 54.329999999999998 111.291 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.509 HG13 HD21 ' B' ' 116' ' ' LEU . 3.6 m -137.24 144.18 32.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 123.185 0.594 . . . . 74.340000000000003 111.029 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 8.0 p -145.61 119.05 9.02 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.112 -0.949 . . . . 63.119999999999997 109.764 175.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.512 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.2 OUTLIER -97.95 122.23 40.82 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.838 -1.171 . . . . 73.420000000000002 107.838 178.555 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 27' ' ' TYR . 23.0 mt -134.98 128.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.123 0 CA-C-N 114.517 -1.219 . . . . 72.140000000000001 107.752 -173.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 80.1 p 54.98 31.81 16.8 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 125.448 1.499 . . . . 65.010000000000005 112.543 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 82.94 4.58 89.95 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 120.864 -0.684 . . . . 64.239999999999995 112.292 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.402 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 39.2 ttm180 -112.93 136.84 52.14 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.338 -1.356 . . . . 65.239999999999995 107.338 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.4 123.77 38.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 119.307 -0.957 . . . . 71.140000000000001 109.354 -176.52 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.454 ' CE2' HD13 ' A' ' 22' ' ' ILE . 83.5 m-85 -106.07 109.12 20.96 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.471 -0.786 . . . . 65.239999999999995 109.949 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.7 mtt85 -93.53 147.26 23.15 Favored 'General case' 0 CA--C 1.481 -1.688 0 N-CA-C 108.962 -0.755 . . . . 73.439999999999998 108.962 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.656 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.7 mt -109.98 120.34 42.16 Favored 'General case' 0 C--N 1.274 -2.713 0 CA-C-N 115.844 -0.616 . . . . 74.230000000000004 109.513 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.543 ' HB3' HH21 ' B' ' 106' ' ' ARG . 3.5 p -117.34 137.27 52.56 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.617 -0.882 . . . . 70.510000000000005 108.617 170.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 17.1 t -139.3 150.32 45.28 Favored 'General case' 0 N--CA 1.404 -2.77 0 C-N-CA 119.329 -0.949 . . . . 73.019999999999996 110.592 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -2.024 0 CA-C-N 114.738 -1.119 . . . . 71.420000000000002 109.97 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.416 0 N-CA-C 109.107 -0.701 . . . . 70.209999999999994 109.107 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' A' ' 32' ' ' ARG . 50.0 m -107.8 111.24 23.31 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 107.893 -1.151 . . . . 71.299999999999997 107.893 176.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -124.18 157.85 33.75 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.095 -1.446 . . . . 74.140000000000001 107.095 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -158.64 148.5 19.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.327 -0.99 . . . . 72.099999999999994 108.327 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.733 ' SG ' HD21 ' B' ' 129' ' ' LEU . 28.9 m -88.48 107.0 18.64 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.632 -0.507 . . . . 71.329999999999998 109.632 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -118.6 160.25 22.13 Favored 'General case' 0 C--O 1.193 -1.869 0 C-N-CA 119.794 -0.762 . . . . 64.319999999999993 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.574 HG21 ' NE ' ' A' ' 25' ' ' ARG . 62.0 p -100.81 8.35 43.25 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 113.184 0.809 . . . . 61.350000000000001 113.184 -173.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.3 -136.49 2.49 Favored Glycine 0 CA--C 1.482 -2.027 0 C-N-CA 118.5 -1.809 . . . . 64.0 112.713 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -97.36 162.47 13.31 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 109.809 -0.441 . . . . 71.129999999999995 109.809 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 p -125.03 171.78 9.97 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.004 -1.48 . . . . 62.140000000000001 107.004 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.75 65.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.139 0.881 . . . . 72.109999999999999 110.614 -171.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -95.55 92.49 6.67 Favored 'General case' 0 N--CA 1.408 -2.569 0 N-CA-C 106.398 -1.704 . . . . 54.549999999999997 106.398 167.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 110.81 7.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.162 -0.681 . . . . 64.420000000000002 109.162 -172.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.327 44.4 mt-10 82.17 76.5 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.15 1.452 . . . . 64.25 113.821 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.6 m -142.06 35.16 1.54 Allowed 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 103.656 -2.72 . . . . 71.400000000000006 103.656 173.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.732 HD21 HG13 ' A' ' 19' ' ' VAL . 3.1 tt -78.8 120.75 23.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 111.933 -2.394 . . . . 74.409999999999997 107.539 -175.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 p -111.54 -6.9 14.35 Favored 'General case' 0 C--N 1.277 -2.577 0 CA-C-N 114.938 -1.028 . . . . 62.350000000000001 111.834 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.43 161.14 30.04 Favored Glycine 0 N--CA 1.426 -1.991 0 N-CA-C 110.275 -1.13 . . . . 73.109999999999999 110.275 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.732 HG13 HD21 ' A' ' 16' ' ' LEU . 2.7 m -139.16 144.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-O 121.307 0.575 . . . . 62.149999999999999 111.708 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.93 118.11 11.3 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 115.009 -0.996 . . . . 72.010000000000005 110.184 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.666 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.43 124.05 41.48 Favored 'General case' 0 N--CA 1.41 -2.435 0 N-CA-C 107.271 -1.381 . . . . 73.120000000000005 107.271 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.6 mt -128.78 114.47 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 115.43 -0.804 . . . . 63.229999999999997 109.148 -174.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 p 53.77 31.25 12.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 126.157 1.783 . . . . 71.420000000000002 113.459 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.48 -10.34 57.76 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.972 -0.632 . . . . 71.120000000000005 113.726 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.574 ' NE ' HG21 ' A' ' 7' ' ' THR . 54.1 ttt180 -104.19 130.7 51.95 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.496 -1.668 . . . . 75.299999999999997 106.496 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -94.31 119.67 33.42 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.635 -0.826 . . . . 64.230000000000004 108.96 -174.171 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 97.1 m-85 -99.96 111.04 23.36 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-N 115.8 -0.636 . . . . 64.430000000000007 109.89 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -92.35 143.1 26.73 Favored 'General case' 0 CA--C 1.477 -1.828 0 C-N-CA 123.84 0.856 . . . . 74.239999999999995 109.754 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.653 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.3 mt -105.73 107.8 18.99 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 107.891 -1.152 . . . . 74.510000000000005 107.891 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.6 115.47 26.49 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.652 -1.61 . . . . 63.350000000000001 106.652 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 t -113.74 147.78 37.65 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-N 115.164 -0.925 . . . . 75.310000000000002 111.019 -166.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.469 ' HG3' ' HB ' ' A' ' 2' ' ' THR . 17.8 ptm180 . . . . . 0 C--N 1.304 -1.383 0 CA-C-N 115.626 -0.716 . . . . 75.420000000000002 110.006 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.494 -0.558 . . . . 74.219999999999999 109.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 62.4 m -134.5 112.0 10.55 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.055 -1.091 . . . . 73.349999999999994 108.055 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 6.9 m -133.9 168.7 18.28 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.06 -1.459 . . . . 65.140000000000001 107.06 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -159.71 140.25 12.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.243 0.474 . . . . 75.340000000000003 111.932 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.653 ' SG ' HD21 ' A' ' 29' ' ' LEU . 20.3 m -87.79 115.57 25.33 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-N 115.389 -0.823 . . . . 71.209999999999994 109.284 -177.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -140.54 160.43 40.02 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.28 -0.968 . . . . 64.099999999999994 110.994 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.474 HG21 ' NE ' ' B' ' 125' ' ' ARG . 18.5 p -91.02 15.94 10.56 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 112.794 0.664 . . . . 74.409999999999997 112.794 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.01 -146.3 4.3 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 119.946 -1.121 . . . . 51.539999999999999 112.136 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -98.28 160.96 13.94 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-O 121.55 0.691 . . . . 73.310000000000002 110.896 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.394 -3.251 0 CA-C-N 114.669 -1.15 . . . . 72.450000000000003 108.471 -171.015 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.415 -2.199 0 CA-C-O 121.566 0.698 . . . . 61.329999999999998 112.701 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.569 HD21 HG13 ' B' ' 119' ' ' VAL . 3.2 tt -99.51 113.57 26.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 103.123 -2.917 . . . . 65.030000000000001 103.123 168.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 m -97.35 -19.6 18.39 Favored 'General case' 0 C--N 1.264 -3.137 0 CA-C-N 114.87 -1.059 . . . . 71.150000000000006 112.254 -168.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.26 164.78 34.85 Favored Glycine 0 N--CA 1.428 -1.846 0 N-CA-C 110.883 -0.887 . . . . 51.329999999999998 110.883 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.569 HG13 HD21 ' B' ' 116' ' ' LEU . 7.6 m -134.51 155.82 39.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 CA-C-O 121.032 0.444 . . . . 53.5 110.431 173.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 9.9 p -149.67 117.18 6.13 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 114.817 -1.083 . . . . 53.420000000000002 109.039 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.561 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.74 118.74 34.96 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 107.362 -1.347 . . . . 74.030000000000001 107.362 178.115 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.485 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 37.0 mt -133.69 128.39 54.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 CA-C-N 114.361 -1.291 . . . . 74.329999999999998 108.323 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 68.5 p 56.53 32.32 20.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.243 1.417 . . . . 74.219999999999999 112.91 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 80.28 15.82 77.66 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.421 -0.419 . . . . 54.439999999999998 112.213 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.474 ' NE ' HG21 ' B' ' 107' ' ' THR . 52.2 ttt180 -126.86 135.25 50.72 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.118 -1.438 . . . . 74.450000000000003 107.118 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.08 118.84 32.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.811 -0.756 . . . . 75.230000000000004 109.359 -174.617 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 22' ' ' ILE . 86.7 m-85 -101.63 114.75 29.08 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.53 -0.759 . . . . 73.329999999999998 110.038 176.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -91.54 148.72 22.08 Favored 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 109.5 -0.556 . . . . 73.450000000000003 109.5 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.733 HD21 ' SG ' ' A' ' 5' ' ' CYS . 58.3 mt -114.4 106.74 14.66 Favored 'General case' 0 N--CA 1.39 -3.444 0 N-CA-C 106.733 -1.581 . . . . 62.340000000000003 106.733 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 14.6 p -106.48 136.06 46.9 Favored 'General case' 0 C--N 1.263 -3.17 0 N-CA-C 106.733 -1.58 . . . . 62.509999999999998 106.733 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.1 t -132.9 152.52 51.87 Favored 'General case' 0 N--CA 1.404 -2.763 0 C-N-CA 118.555 -1.258 . . . . 74.319999999999993 110.931 -174.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 132' ' ' ARG . 14.4 ptm180 . . . . . 0 N--CA 1.433 -1.317 0 CA-C-N 115.036 -0.984 . . . . 74.200000000000003 109.292 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.759 0 N-CA-C 109.041 -0.725 . . . . 63.030000000000001 109.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.2 m -118.98 112.01 19.05 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.568 -0.901 . . . . 74.549999999999997 108.568 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -124.25 165.77 17.05 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.235 -1.765 . . . . 74.109999999999999 106.235 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 26.8 p90 -158.87 152.63 23.23 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 118.041 0.382 . . . . 74.129999999999995 111.707 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.581 ' SG ' HD21 ' B' ' 129' ' ' LEU . 26.9 m -87.56 109.37 19.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.136 -0.938 . . . . 70.409999999999997 108.81 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 15.3 ptt180 -105.69 150.05 25.83 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 116.051 -0.522 . . . . 62.409999999999997 110.651 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -90.24 -4.79 56.98 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.328 0.585 . . . . 72.439999999999998 111.499 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.487 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -162.32 -110.37 0.25 Allowed Glycine 0 N--CA 1.414 -2.809 0 N-CA-C 110.378 -1.089 . . . . 72.439999999999998 110.378 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -98.14 177.82 5.28 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.029 -0.73 . . . . 73.439999999999998 109.029 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 17.5 p -146.46 145.62 30.27 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.141 -1.059 . . . . 43.219999999999999 108.141 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 85.6 1.51 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.606 0.717 . . . . 24.43 110.733 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t 173.14 -36.13 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 126.204 1.802 . . . . 62.539999999999999 106.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 53.65 -173.92 0.04 OUTLIER 'General case' 0 C--N 1.373 1.595 0 N-CA-C 114.201 1.186 . . . . 75.219999999999999 114.201 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 69.32 -55.46 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.558 1.543 . . . . 63.109999999999999 114.285 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 18.5 m -80.89 77.0 7.81 Favored 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 112.653 0.612 . . . . 74.319999999999993 112.653 -175.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.507 HD21 HG13 ' A' ' 19' ' ' VAL . 4.5 tt -95.7 108.08 20.34 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 104.005 -2.591 . . . . 74.010000000000005 104.005 169.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -111.26 -5.9 14.62 Favored 'General case' 0 C--N 1.266 -3.035 0 CA-C-N 114.64 -1.164 . . . . 74.349999999999994 113.237 -168.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.92 163.64 33.3 Favored Glycine 0 N--CA 1.417 -2.588 0 N-CA-C 110.369 -1.092 . . . . 64.409999999999997 110.369 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG13 HD21 ' A' ' 16' ' ' LEU . 11.5 m -142.64 149.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 121.672 0.748 . . . . 72.409999999999997 110.987 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.9 p -146.01 114.97 6.95 Favored 'General case' 0 C--N 1.27 -2.852 0 CA-C-N 114.703 -1.135 . . . . 75.510000000000005 109.496 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' HD22 ' A' ' 26' ' ' LEU . 1.2 tm-20 -96.19 121.37 37.9 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.133 -1.062 . . . . 75.230000000000004 108.133 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' B' ' 127' ' ' TYR . 24.8 mt -134.04 127.83 52.13 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-N 114.143 -1.39 . . . . 75.129999999999995 107.89 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.3 p 52.4 32.5 11.31 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 124.857 1.263 . . . . 72.450000000000003 112.924 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 -6.5 83.22 Favored Glycine 0 C--O 1.244 0.748 0 C-N-CA 121.444 -0.408 . . . . 74.510000000000005 113.013 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -103.86 137.22 42.16 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.678 -0.86 . . . . 74.430000000000007 108.678 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.91 117.46 30.13 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 108.589 -0.893 . . . . 75.310000000000002 108.589 -176.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' CE2' HD13 ' B' ' 122' ' ' ILE . 80.2 m-85 -99.27 115.24 28.69 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-N 115.692 -0.685 . . . . 74.25 109.72 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.487 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 69.2 mtt85 -94.07 155.02 17.32 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 115.695 -0.684 . . . . 72.230000000000004 109.209 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.678 HD21 ' SG ' ' B' ' 105' ' ' CYS . 67.4 mt -116.43 126.45 53.45 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 109.236 -0.653 . . . . 70.540000000000006 109.236 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' SER . 24.3 p -128.51 142.27 51.13 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 107.21 -1.404 . . . . 51.200000000000003 107.21 172.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -131.33 150.27 52.22 Favored 'General case' 0 N--CA 1.415 -2.204 0 C-N-CA 119.003 -1.079 . . . . 74.319999999999993 110.159 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--O 1.256 1.406 0 N-CA-C 109.109 -0.7 . . . . 73.319999999999993 109.109 -178.468 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.503 0.192 . . . . 51.32 110.801 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.488 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 59.5 m -122.77 112.62 18.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.406 -0.961 . . . . 62.240000000000002 108.406 173.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.09 155.06 28.83 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.053 -1.462 . . . . 55.210000000000001 107.053 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -148.51 137.99 22.01 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.363 -0.535 . . . . 73.319999999999993 112.412 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.678 ' SG ' HD21 ' A' ' 29' ' ' LEU . 35.4 m -79.57 105.88 11.19 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.965 -1.016 . . . . 54.130000000000003 108.808 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.488 ' HD2' ' HB2' ' B' ' 128' ' ' ARG 0.269 0.4 OUTLIER -113.62 141.28 47.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.314 0.857 . . . . 63.509999999999998 113.314 -178.904 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 -2.68 48.01 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.771 -1.104 . . . . 71.049999999999997 112.63 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' GLY . . . . . 0.485 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -160.43 -105.42 0.2 Allowed Glycine 0 N--CA 1.415 -2.748 0 C-N-CA 120.075 -1.059 . . . . 70.340000000000003 110.655 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -98.72 179.34 4.7 Favored 'General case' 0 C--N 1.281 -2.403 0 N-CA-C 109.222 -0.659 . . . . 74.209999999999994 109.222 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.472 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.3 p . . . . . 0 CA--C 1.484 -1.57 0 N-CA-C 108.627 -0.879 . . . . 74.209999999999994 108.627 169.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 53.1 m . . . . . 0 N--CA 1.442 -0.874 0 N-CA-C 107.918 -1.142 . . . . 75.150000000000006 107.918 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.564 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.92 118.43 20.93 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.837 -1.172 . . . . 75.129999999999995 107.837 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.6 p -114.61 -8.31 12.72 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.596 -1.184 . . . . 72.319999999999993 112.587 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.94 163.61 33.24 Favored Glycine 0 N--CA 1.437 -1.295 0 N-CA-C 110.74 -0.944 . . . . 74.099999999999994 110.74 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.564 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -141.54 145.42 24.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.282 0.563 . . . . 60.43 111.748 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 7.3 p -145.03 116.9 8.23 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 114.922 -1.035 . . . . 65.540000000000006 109.077 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.44 ' HB2' HD22 ' B' ' 126' ' ' LEU . 43.6 tt0 -97.35 108.31 21.01 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.471 -0.937 . . . . 63.310000000000002 108.471 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 27' ' ' TYR . 28.8 mt -121.46 128.71 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 115.056 -0.975 . . . . 61.100000000000001 109.015 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.8 p 56.12 32.32 19.89 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.606 1.562 . . . . 64.030000000000001 113.144 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.05 -0.46 89.01 Favored Glycine 0 C--N 1.321 -0.299 0 C-N-CA 121.21 -0.519 . . . . 72.25 112.651 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.433 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.5 ttm180 -107.56 136.62 47.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 107.665 -1.235 . . . . 61.119999999999997 107.665 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.95 119.14 32.45 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 108.266 -1.013 . . . . 71.430000000000007 108.266 -176.533 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.568 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.8 m-85 -98.97 107.17 19.54 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-N 115.803 -0.635 . . . . 75.340000000000003 110.26 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.488 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 73.0 mtt85 -92.13 143.67 26.21 Favored 'General case' 0 CA--C 1.478 -1.826 0 CA-C-N 115.446 -0.797 . . . . 72.439999999999998 109.115 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.581 HD21 ' SG ' ' A' ' 5' ' ' CYS . 57.3 mt -107.44 132.05 53.62 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.896 -0.593 . . . . 74.219999999999999 109.555 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.475 ' HB3' HH21 ' B' ' 106' ' ' ARG . 7.5 p -133.17 141.94 48.37 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.727 -1.583 . . . . 42.130000000000003 106.727 169.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -132.37 157.98 43.12 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 118.602 -1.239 . . . . 64.340000000000003 111.384 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.488 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 16.4 ptm180 . . . . . 0 N--CA 1.423 -1.795 0 C-N-CA 124.169 0.988 . . . . 73.420000000000002 108.767 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 108.468 -0.938 . . . . 74.340000000000003 108.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.51 111.38 17.62 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 108.758 -0.83 . . . . 75.239999999999995 108.758 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 m -125.27 157.18 37.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 105.751 -1.944 . . . . 55.030000000000001 105.751 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -153.27 147.79 26.08 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 120.752 0.311 . . . . 74.510000000000005 110.483 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.628 ' SG ' HD21 ' B' ' 129' ' ' LEU . 32.6 m -86.52 103.14 14.76 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.381 -0.827 . . . . 72.349999999999994 108.807 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.542 HH11 ' HA ' ' A' ' 9' ' ' ARG . 12.8 ptt180 -91.84 145.0 24.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.991 0.424 . . . . 73.439999999999998 110.893 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -96.32 13.35 27.94 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.379 -0.828 . . . . 52.229999999999997 110.571 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.85 -111.41 0.25 Allowed Glycine 0 N--CA 1.417 -2.574 0 N-CA-C 109.707 -1.357 . . . . 44.240000000000002 109.707 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.542 ' HA ' HH11 ' A' ' 6' ' ' ARG . 15.4 ptt180 -111.63 178.59 4.28 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.766 -0.457 . . . . 62.329999999999998 109.766 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 12' ' ' THR . 9.5 p -144.71 165.82 26.98 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.834 -0.802 . . . . 63.140000000000001 108.834 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.4 29.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.891 0.853 . . . . 70.140000000000001 111.202 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.494 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.0 t -157.86 41.7 0.29 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.307 -1.738 . . . . 60.539999999999999 106.307 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -58.77 150.46 23.66 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.999 -1.0 . . . . 74.430000000000007 110.73 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 78.13 1.44 2.75 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.679 1.191 . . . . 72.340000000000003 112.33 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -103.26 38.75 1.7 Allowed 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 105.687 -1.968 . . . . 71.319999999999993 105.687 171.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.665 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.78 119.35 21.87 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 106.514 -1.662 . . . . 72.049999999999997 106.514 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -106.2 -12.34 15.76 Favored 'General case' 0 C--N 1.273 -2.743 0 CA-C-N 114.955 -1.02 . . . . 61.450000000000003 112.792 -172.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.46 163.68 33.68 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 111.423 -0.671 . . . . 52.399999999999999 111.423 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.665 HG13 HD21 ' A' ' 16' ' ' LEU . 7.2 m -139.87 147.82 23.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-O 121.098 0.475 . . . . 75.040000000000006 111.235 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.8 p -147.01 119.88 8.7 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 114.611 -1.177 . . . . 64.219999999999999 109.047 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.24 108.51 21.25 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.031 -1.47 . . . . 75.230000000000004 107.031 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.419 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 35.7 mt -124.23 133.27 69.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 108.24 -1.022 . . . . 74.530000000000001 108.24 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p 54.17 32.26 15.59 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.425 1.09 . . . . 61.119999999999997 111.873 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.06 -17.32 33.02 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.767 -0.651 . . . . 60.140000000000001 113.371 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 40.4 ttm180 -89.58 137.77 32.04 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.771 -0.826 . . . . 74.430000000000007 108.771 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 117.54 30.25 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.264 -1.013 . . . . 63.240000000000002 108.264 -177.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CE2' HD13 ' B' ' 122' ' ' ILE . 83.8 m-85 -97.11 116.01 28.54 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.122 -0.945 . . . . 62.119999999999997 109.597 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 68.4 mtt85 -102.69 143.83 31.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 108.567 -0.901 . . . . 74.430000000000007 108.567 177.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD21 ' SG ' ' B' ' 105' ' ' CYS . 48.4 mt -107.5 124.67 50.23 Favored 'General case' 0 C--N 1.254 -3.556 0 N-CA-C 108.446 -0.946 . . . . 73.120000000000005 108.446 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 p -129.87 139.66 51.13 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.785 -1.561 . . . . 61.109999999999999 106.785 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -137.19 154.84 50.11 Favored 'General case' 0 N--CA 1.42 -1.955 0 C-N-CA 119.032 -1.067 . . . . 61.119999999999997 111.148 -169.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.449 0 N-CA-C 108.766 -0.827 . . . . 74.420000000000002 108.766 178.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.867 0 N-CA-C 110.469 -0.197 . . . . 42.200000000000003 110.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.509 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 89.4 m -114.6 112.47 22.96 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.32 -0.993 . . . . 63.340000000000003 108.32 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.6 m -118.68 162.8 17.82 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.959 -1.126 . . . . 73.540000000000006 107.959 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -155.49 148.84 24.87 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.656 0.265 . . . . 72.239999999999995 110.786 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' A' ' 29' ' ' LEU . 21.5 m -88.53 106.09 18.07 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.308 -0.86 . . . . 71.219999999999999 108.78 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.496 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.7 ptt180 -100.42 145.92 27.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.804 0.335 . . . . 72.209999999999994 111.226 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -88.9 0.5 56.54 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 122.885 0.474 . . . . 74.010000000000005 111.608 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -164.44 -116.19 0.36 Allowed Glycine 0 N--CA 1.421 -2.341 0 N-CA-C 110.419 -1.072 . . . . 64.209999999999994 110.419 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.496 ' HA ' HH11 ' B' ' 106' ' ' ARG . 24.9 ptt180 -104.23 167.83 9.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.361 0.601 . . . . 64.439999999999998 112.036 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.299 -1.618 0 N-CA-C 107.121 -1.437 . . . . 73.329999999999998 107.121 174.826 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 106.172 -1.788 . . . . 73.420000000000002 106.172 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.515 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.38 121.27 24.27 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 105.873 -1.899 . . . . 75.239999999999995 105.873 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.9 p -110.15 -19.39 13.05 Favored 'General case' 0 C--N 1.272 -2.787 0 CA-C-N 114.794 -1.094 . . . . 73.310000000000002 112.868 -172.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.29 164.4 34.85 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.984 -1.246 . . . . 64.200000000000003 109.984 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.515 HG13 HD21 ' B' ' 116' ' ' LEU . 28.4 m -134.75 159.16 41.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-O 121.467 0.651 . . . . 75.409999999999997 111.538 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 4.1 p -147.55 119.64 8.26 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-N 114.469 -1.241 . . . . 62.43 109.499 173.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.483 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.7 tm-20 -97.32 122.16 40.04 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 108.061 -1.088 . . . . 72.120000000000005 108.061 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 27' ' ' TYR . 29.1 mt -134.12 126.16 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.093 0 CA-C-N 114.551 -1.204 . . . . 54.340000000000003 108.592 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.5 p 52.6 32.78 12.31 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 125.249 1.42 . . . . 63.140000000000001 113.159 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.97 80.22 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.867 -0.683 . . . . 62.229999999999997 112.874 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.411 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 41.5 ttm180 -113.69 138.78 49.74 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.618 -0.882 . . . . 64.430000000000007 108.618 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.95 120.24 33.94 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.886 -0.783 . . . . 75.400000000000006 108.886 -177.26 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.419 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 83.6 m-85 -101.91 114.68 28.98 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.534 -0.757 . . . . 74.239999999999995 109.623 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.433 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.7 mtt85 -96.75 152.07 19.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.65 -0.705 . . . . 72.219999999999999 109.893 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.628 HD21 ' SG ' ' A' ' 5' ' ' CYS . 57.0 mt -113.91 123.93 50.95 Favored 'General case' 0 C--N 1.271 -2.845 0 N-CA-C 108.706 -0.85 . . . . 74.310000000000002 108.706 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.8 p -129.15 140.43 51.53 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.947 -1.871 . . . . 74.5 105.947 170.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.26 154.38 50.14 Favored 'General case' 0 N--CA 1.418 -2.067 0 C-N-CA 117.817 -1.553 . . . . 62.219999999999999 112.203 -168.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.509 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 1.5 ptm180 . . . . . 0 N--CA 1.417 -2.102 0 CA-C-N 114.904 -1.044 . . . . 72.510000000000005 109.039 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 120.883 0.373 . . . . 62.340000000000003 110.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.05 111.85 18.4 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 106.927 -1.508 . . . . 72.230000000000004 106.927 173.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.55 159.86 29.67 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.918 -1.512 . . . . 72.409999999999997 106.918 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -155.67 149.14 24.92 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 111.553 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.5 m -87.27 106.61 18.03 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.358 -0.837 . . . . 72.230000000000004 109.46 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.553 ' HD2' ' HB2' ' A' ' 28' ' ' ARG 0.284 2.8 ppt_? -109.97 136.52 49.12 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 113.453 0.909 . . . . 73.239999999999995 113.453 -179.796 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.2 p -87.48 7.85 27.49 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 114.384 -1.28 . . . . 71.049999999999997 111.864 -172.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.83 -108.64 0.23 Allowed Glycine 0 CA--C 1.459 -3.443 0 N-CA-C 108.305 -1.918 . . . . 75.209999999999994 108.305 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -117.57 178.5 4.37 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 109.622 -0.51 . . . . 60.420000000000002 109.622 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 6.7 p -146.92 166.18 27.52 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.486 -1.302 . . . . 72.150000000000006 107.486 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.16 69.47 5.36 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.64 0.733 . . . . 73.430000000000007 110.526 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 168.95 30.74 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 126.727 2.011 . . . . 52.140000000000001 106.02 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.79 146.18 17.82 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.401 -0.818 . . . . 74.200000000000003 111.333 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.369 0.4 OUTLIER 87.12 -12.64 0.52 Allowed 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 125.141 1.376 . . . . 45.520000000000003 112.48 -173.383 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -90.71 68.94 6.57 Favored 'General case' 0 N--CA 1.414 -2.232 0 N-CA-C 106.375 -1.713 . . . . 63.049999999999997 106.375 166.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD21 HG13 ' A' ' 19' ' ' VAL . 3.7 tt -100.27 115.95 31.13 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 105.597 -2.001 . . . . 54.140000000000001 105.597 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -103.51 -18.47 14.77 Favored 'General case' 0 C--N 1.267 -3.007 0 CA-C-N 114.756 -1.111 . . . . 73.230000000000004 111.491 -171.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 164.49 34.97 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 110.538 -1.025 . . . . 73.409999999999997 110.538 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.633 HG13 HD21 ' A' ' 16' ' ' LEU . 12.3 m -138.53 156.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-O 121.415 0.626 . . . . 54.020000000000003 111.882 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.3 p -154.0 122.21 6.1 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.473 -1.24 . . . . 32.100000000000001 108.979 175.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.06 120.89 39.25 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.851 -1.166 . . . . 71.219999999999999 107.851 177.325 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.517 HD13 ' CE2' ' B' ' 127' ' ' TYR . 34.8 mt -134.04 128.0 52.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 CA-C-N 114.863 -1.062 . . . . 72.0 108.907 -172.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p 54.46 31.96 15.75 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.877 1.671 . . . . 75.200000000000003 113.145 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.54 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.713 -0.756 . . . . 73.25 112.866 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -125.69 142.07 51.7 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 108.465 -0.939 . . . . 74.5 108.465 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.04 122.98 37.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 119.835 -0.746 . . . . 71.129999999999995 109.296 -176.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 84.4 m-85 -103.98 109.09 20.72 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.477 -0.783 . . . . 72.040000000000006 110.305 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 58.0 mtt85 -96.15 139.46 32.28 Favored 'General case' 0 CA--C 1.487 -1.461 0 N-CA-C 108.332 -0.988 . . . . 72.150000000000006 108.332 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' B' ' 105' ' ' CYS . 49.6 mt -105.2 117.09 33.12 Favored 'General case' 0 C--N 1.266 -3.049 0 N-CA-C 109.054 -0.721 . . . . 72.5 109.054 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.434 ' HB3' HH21 ' A' ' 6' ' ' ARG . 8.6 p -116.1 142.73 46.43 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.186 -1.042 . . . . 63.420000000000002 108.186 173.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 t -136.07 158.6 44.01 Favored 'General case' 0 N--CA 1.411 -2.387 0 C-N-CA 118.97 -1.092 . . . . 73.25 111.125 -172.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.255 1.38 0 CA-C-N 115.324 -0.853 . . . . 65.030000000000001 109.2 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 109.724 -0.473 . . . . 72.040000000000006 109.724 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 56.6 m -116.41 112.29 21.26 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.452 -0.944 . . . . 72.209999999999994 108.452 175.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.3 m -117.16 164.25 15.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.568 -1.271 . . . . 74.030000000000001 107.568 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -158.75 150.6 21.09 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.97 -0.381 . . . . 75.420000000000002 109.97 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' A' ' 29' ' ' LEU . 34.0 m -91.39 112.98 25.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 123.777 0.673 . . . . 72.329999999999998 109.87 -175.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.446 ' HG3' ' HB2' ' B' ' 128' ' ' ARG . 13.1 ptt180 -106.38 147.94 28.66 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.379 -0.373 . . . . 60.409999999999997 110.864 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 51.9 p -87.93 -7.71 56.75 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.293 0.568 . . . . 64.400000000000006 110.99 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' GLY . . . . . 0.506 ' HA2' ' NH1' ' B' ' 128' ' ' ARG . . . -162.3 -91.5 0.08 OUTLIER Glycine 0 N--CA 1.414 -2.785 0 N-CA-C 110.524 -1.03 . . . . 53.32 110.524 -176.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -114.28 171.63 7.5 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.389 0.614 . . . . 62.530000000000001 111.76 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.304 -1.397 0 N-CA-C 106.885 -1.524 . . . . 61.100000000000001 106.885 175.733 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 N--CA 1.432 -1.34 0 N-CA-C 107.221 -1.4 . . . . 74.340000000000003 107.221 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.544 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -99.47 123.04 43.39 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.455 -1.683 . . . . 74.200000000000003 106.455 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 p -114.26 -9.5 12.83 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 115.56 -0.745 . . . . 73.430000000000007 112.774 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.42 163.59 33.57 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 111.213 -0.755 . . . . 71.230000000000004 111.213 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.544 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -138.67 144.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 121.567 0.699 . . . . 75.519999999999996 111.688 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.86 114.7 8.58 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.892 -1.049 . . . . 75.400000000000006 109.443 174.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -97.03 108.78 21.58 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 107.039 -1.467 . . . . 74.040000000000006 107.039 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 27' ' ' TYR . 36.0 mt -118.23 129.57 74.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 CA-C-N 114.825 -1.08 . . . . 73.530000000000001 108.338 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 63.8 p 53.4 32.37 13.74 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.769 1.228 . . . . 62.329999999999998 112.066 -177.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.26 -11.17 63.85 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 115.746 -0.661 . . . . 61.350000000000001 113.12 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -95.6 138.69 32.92 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.94 -1.133 . . . . 75.109999999999999 107.94 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.441 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.87 122.1 36.01 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 119.184 -1.007 . . . . 60.119999999999997 109.01 -175.535 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.517 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.6 m-85 -103.74 109.71 21.53 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 115.539 -0.755 . . . . 74.420000000000002 110.065 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.506 ' NH1' ' HA2' ' B' ' 108' ' ' GLY . 65.0 mtt85 -89.89 150.93 21.99 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.651 -0.87 . . . . 75.329999999999998 108.651 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 5' ' ' CYS . 66.7 mt -112.25 125.33 54.04 Favored 'General case' 0 C--N 1.267 -3.001 0 N-CA-C 108.884 -0.784 . . . . 64.319999999999993 108.884 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.8 p -125.72 132.01 52.45 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 106.823 -1.547 . . . . 74.450000000000003 106.823 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -131.53 151.26 51.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 118.699 -1.2 . . . . 55.009999999999998 111.65 -170.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.46 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 16.1 ptm180 . . . . . 0 N--CA 1.426 -1.646 0 CA-C-O 117.938 -1.03 . . . . 74.219999999999999 108.754 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 109.31 -0.626 . . . . 52.030000000000001 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -112.19 110.87 21.37 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 108.434 -0.95 . . . . 73.319999999999993 108.434 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.7 m -122.52 161.16 24.15 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 106.81 -1.552 . . . . 61.32 106.81 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -154.34 153.63 31.97 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.623 0.249 . . . . 74.230000000000004 110.845 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.67 ' SG ' HD21 ' B' ' 129' ' ' LEU . 23.8 m -94.01 106.39 18.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.408 -0.814 . . . . 54.119999999999997 109.048 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 14.2 ptt180 -99.8 147.92 24.97 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 111.054 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.6 p -90.21 5.59 46.4 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.381 0.61 . . . . 71.420000000000002 111.403 -178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -173.25 -108.73 0.22 Allowed Glycine 0 N--CA 1.424 -2.114 0 N-CA-C 110.295 -1.122 . . . . 64.549999999999997 110.295 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HA ' HH11 ' A' ' 6' ' ' ARG . 16.5 ptt180 -100.94 167.6 10.16 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.098 0.475 . . . . 73.010000000000005 111.361 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 13.1 p -136.27 167.05 22.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.35 -1.352 . . . . 63.350000000000001 107.35 173.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 72.2 1.43 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 118.561 0.619 . . . . 72.510000000000005 112.57 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t 178.0 -60.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.79 1.236 . . . . 63.149999999999999 110.742 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 15' ' ' SER . 0.5 OUTLIER 61.69 175.42 0.12 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.901 0.881 . . . . 75.329999999999998 111.123 -172.711 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 69.14 -33.29 0.24 Allowed 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 123.975 0.91 . . . . 75.540000000000006 112.028 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 13' ' ' ARG . 25.1 p -85.45 32.22 0.57 Allowed 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 125.132 1.373 . . . . 75.329999999999998 111.288 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.608 HD21 HG13 ' A' ' 19' ' ' VAL . 4.0 tt -78.27 117.24 19.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.016 -1.846 . . . . 74.299999999999997 106.016 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -109.91 -6.63 15.15 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 114.84 -1.073 . . . . 55.530000000000001 112.145 -172.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.76 163.6 33.35 Favored Glycine 0 N--CA 1.423 -2.221 0 C-N-CA 120.218 -0.992 . . . . 52.039999999999999 111.971 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.608 HG13 HD21 ' A' ' 16' ' ' LEU . 7.4 m -141.69 145.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 123.233 0.613 . . . . 52.210000000000001 111.069 177.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -144.93 121.61 11.15 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.031 -0.986 . . . . 74.25 109.245 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' HD22 ' A' ' 26' ' ' LEU . 44.6 tt0 -97.86 110.65 23.18 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.073 -1.084 . . . . 63.310000000000002 108.073 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -123.25 135.14 64.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 115.164 -0.926 . . . . 72.129999999999995 108.521 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 52.59 31.84 10.72 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.791 1.237 . . . . 73.329999999999998 111.582 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.24 83.86 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.593 -0.731 . . . . 51.409999999999997 113.217 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -107.67 142.47 37.59 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.926 -1.138 . . . . 73.439999999999998 107.926 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 125.95 38.81 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.086 -1.046 . . . . 64.109999999999999 109.424 -176.631 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 78.7 m-85 -107.04 118.56 37.02 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 115.026 -0.988 . . . . 72.140000000000001 110.142 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.3 mtt85 -100.07 152.25 20.44 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-N 115.318 -0.855 . . . . 71.299999999999997 108.863 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.611 HD21 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.69 126.53 54.98 Favored 'General case' 0 C--N 1.268 -2.948 0 N-CA-C 109.177 -0.675 . . . . 62.299999999999997 109.177 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.24 142.02 48.33 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.86 -1.904 . . . . 62.32 105.86 171.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -127.93 148.77 50.51 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 118.609 -1.236 . . . . 72.329999999999998 110.715 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--N 1.308 -1.203 0 CA-C-N 115.612 -0.722 . . . . 75.109999999999999 109.675 -175.874 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.298 -0.26 . . . . 63.329999999999998 110.298 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 88.2 m -132.78 113.14 12.59 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.944 -0.761 . . . . 75.409999999999997 108.944 175.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 11.1 m -130.52 164.05 25.7 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.404 -1.702 . . . . 72.230000000000004 106.404 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 35.0 p90 -157.54 153.4 26.9 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.478 0.581 . . . . 74.310000000000002 112.153 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 29' ' ' LEU . 18.3 m -87.22 102.48 14.52 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.084 -0.962 . . . . 71.540000000000006 110.097 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 11.4 ptt180 -101.81 141.26 34.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.763 0.316 . . . . 74.209999999999994 111.071 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 63.4 p -89.36 5.15 46.4 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.409 0.623 . . . . 71.420000000000002 111.313 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 108' ' ' GLY . . . . . 0.547 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -162.51 -116.3 0.38 Allowed Glycine 0 N--CA 1.427 -1.959 0 N-CA-C 108.885 -1.686 . . . . 71.329999999999998 108.885 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.442 ' HA ' HH11 ' B' ' 106' ' ' ARG . 40.1 ptt180 -103.08 177.66 4.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.794 -0.817 . . . . 75.109999999999999 108.794 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.441 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 13.5 p . . . . . 0 C--N 1.3 -1.562 0 N-CA-C 109.031 -0.729 . . . . 64.140000000000001 109.031 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 34.6 t . . . . . 0 N--CA 1.414 -2.243 0 CA-C-O 121.185 0.517 . . . . 74.150000000000006 111.584 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.595 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -87.75 116.77 26.13 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.383 -2.451 . . . . 65.349999999999994 104.383 170.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.9 p -107.4 -11.36 15.54 Favored 'General case' 0 C--N 1.273 -2.733 0 N-CA-C 112.969 0.729 . . . . 54.240000000000002 112.969 -172.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.74 163.83 33.71 Favored Glycine 0 N--CA 1.422 -2.257 0 N-CA-C 110.603 -0.999 . . . . 74.019999999999996 110.603 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.595 HG13 HD21 ' B' ' 116' ' ' LEU . 9.6 m -137.02 150.3 26.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 CA-C-O 121.619 0.723 . . . . 62.439999999999998 110.859 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.47 121.14 8.61 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 114.729 -1.123 . . . . 71.430000000000007 109.169 175.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.56 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.6 tm-20 -97.77 119.2 35.93 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.959 -1.126 . . . . 63.009999999999998 107.959 177.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.411 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 30.8 mt -135.87 136.21 50.13 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 N-CA-C 107.144 -1.428 . . . . 75.430000000000007 107.144 -172.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.4 p 53.03 31.45 11.12 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 124.729 1.212 . . . . 72.420000000000002 112.253 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.04 11.54 84.71 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.681 -0.771 . . . . 71.519999999999996 112.574 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -120.53 141.15 50.52 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.769 -1.197 . . . . 71.420000000000002 107.769 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.85 125.97 38.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 119.358 -0.937 . . . . 61.240000000000002 109.013 -176.017 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -108.13 113.99 27.54 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 115.147 -0.933 . . . . 65.239999999999995 110.434 176.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 72.0 mtt85 -96.17 147.07 24.14 Favored 'General case' 0 CA--C 1.475 -1.92 0 N-CA-C 108.223 -1.029 . . . . 74.430000000000007 108.223 176.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.67 HD21 ' SG ' ' A' ' 5' ' ' CYS . 59.3 mt -108.63 120.13 41.55 Favored 'General case' 0 C--N 1.253 -3.606 0 N-CA-C 108.442 -0.947 . . . . 74.409999999999997 108.442 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' B' ' 115' ' ' SER . 24.5 p -116.55 142.46 46.86 Favored 'General case' 0 CA--C 1.48 -1.736 0 N-CA-C 106.713 -1.588 . . . . 61.149999999999999 106.713 172.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.83 145.86 44.96 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 118.687 -1.205 . . . . 72.140000000000001 109.882 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 118.232 -0.89 . . . . 74.319999999999993 110.343 -178.429 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.647 0 N-CA-C 109.687 -0.486 . . . . 60.549999999999997 109.687 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 111.92 11.08 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 109.668 -0.493 . . . . 64.319999999999993 109.668 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.7 m -128.61 167.06 17.71 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 106.666 -1.605 . . . . 62.109999999999999 106.666 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -160.23 157.55 28.42 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 117.856 0.298 . . . . 70.430000000000007 110.813 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.632 ' SG ' HD21 ' B' ' 129' ' ' LEU . 31.0 m -94.72 100.26 12.21 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.001 -0.74 . . . . 61.049999999999997 109.001 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.82 ' HD3' ' SG ' ' A' ' 30' ' ' CYS . 15.8 ptt180 -91.75 147.07 23.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.056 -0.72 . . . . 74.109999999999999 109.056 -178.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.3 p -90.5 4.54 50.83 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 120.838 0.351 . . . . 71.129999999999995 111.906 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.477 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -169.35 -87.3 0.07 OUTLIER Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.495 -0.859 . . . . 64.439999999999998 110.964 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.537 ' C ' ' HD2' ' A' ' 6' ' ' ARG . 39.7 ptt180 -124.95 174.14 8.18 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.357 -0.609 . . . . 71.329999999999998 109.357 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' NH1' ' A' ' 6' ' ' ARG . 23.3 p -146.31 169.77 18.13 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.453 -1.314 . . . . 70.510000000000005 107.453 177.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.0 -25.08 64.33 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.738 -0.468 . . . . 71.420000000000002 109.738 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' THR . 9.6 t -86.84 82.75 7.71 Favored 'General case' 0 N--CA 1.418 -2.028 0 N-CA-C 107.362 -1.347 . . . . 62.25 107.362 169.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -60.94 123.76 18.52 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 114.277 1.214 . . . . 73.129999999999995 114.277 -173.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 59.49 23.57 12.19 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 113.32 -1.764 . . . . 73.530000000000001 115.428 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -83.5 46.3 1.14 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.391 -1.337 . . . . 73.109999999999999 107.391 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 19' ' ' VAL . 3.8 tt -80.11 122.98 27.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 125.376 1.47 . . . . 72.310000000000002 108.267 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -116.91 -7.24 11.43 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.811 -1.086 . . . . 74.430000000000007 112.159 -175.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.21 164.27 34.7 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 110.967 -0.853 . . . . 74.510000000000005 110.967 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.525 HG13 HD21 ' A' ' 16' ' ' LEU . 5.2 m -143.23 153.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.591 0.71 . . . . 72.319999999999993 111.867 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -153.62 117.71 4.81 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 114.706 -1.134 . . . . 70.129999999999995 109.566 175.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.551 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.0 119.37 35.34 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 107.946 -1.131 . . . . 54.5 107.946 178.291 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.411 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 35.0 mt -132.27 126.29 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.191 0 CA-C-N 114.18 -1.373 . . . . 64.230000000000004 108.428 -172.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 54.25 32.53 16.31 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 125.468 1.507 . . . . 53.149999999999999 113.497 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.65 79.13 Favored Glycine 0 C--O 1.239 0.41 0 C-N-CA 121.259 -0.496 . . . . 54.149999999999999 112.892 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -108.83 137.29 46.99 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.482 -0.932 . . . . 75.5 108.482 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.03 116.58 29.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.345 -0.983 . . . . 65.510000000000005 108.345 -176.221 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE2' HD13 ' B' ' 122' ' ' ILE . 83.9 m-85 -96.01 115.05 26.83 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.661 -0.7 . . . . 64.420000000000002 110.113 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 62.5 mtt85 -100.69 141.76 33.11 Favored 'General case' 0 CA--C 1.47 -2.098 0 CA-C-N 115.306 -0.861 . . . . 73.239999999999995 109.385 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.612 HD21 ' SG ' ' B' ' 105' ' ' CYS . 46.5 mt -105.16 113.78 27.58 Favored 'General case' 0 C--N 1.26 -3.32 0 N-CA-C 108.36 -0.978 . . . . 50.240000000000002 108.36 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.82 ' SG ' ' HD3' ' A' ' 6' ' ' ARG . 13.9 p -119.01 125.16 48.72 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.703 -1.221 . . . . 74.239999999999995 107.703 172.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -116.7 152.76 33.63 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.531 -0.914 . . . . 61.140000000000001 108.531 -173.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 . . . . . 0 C--N 1.315 -0.894 0 C-N-CA 119.397 -0.921 . . . . 72.120000000000005 111.664 -174.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.794 0 CA-C-O 120.976 0.417 . . . . 74.109999999999999 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 102' ' ' THR . . . . . 0.421 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 94.4 m -128.37 112.69 14.69 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.795 -0.817 . . . . 55.229999999999997 108.795 172.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.11 162.11 18.73 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 106.743 -1.577 . . . . 75.099999999999994 106.743 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -155.25 146.78 23.04 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 120.592 0.234 . . . . 73.409999999999997 110.479 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.612 ' SG ' HD21 ' A' ' 29' ' ' LEU . 31.8 m -84.82 104.15 14.53 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.444 -0.798 . . . . 54.020000000000003 109.665 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.471 HH11 ' HA ' ' B' ' 109' ' ' ARG . 11.1 ptt180 -97.95 144.23 27.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.285 -0.416 . . . . 73.329999999999998 110.533 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -90.05 0.74 56.97 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.408 0.623 . . . . 53.219999999999999 110.644 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -160.31 -108.51 0.24 Allowed Glycine 0 N--CA 1.417 -2.63 0 N-CA-C 109.703 -1.359 . . . . 73.340000000000003 109.703 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.471 ' HA ' HH11 ' B' ' 106' ' ' ARG . 36.1 ptt180 -116.61 178.11 4.45 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.446 0.641 . . . . 73.439999999999998 111.725 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.297 -1.686 0 N-CA-C 106.225 -1.769 . . . . 62.25 106.225 177.551 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.425 -1.677 0 N-CA-C 112.926 0.713 . . . . 63.240000000000002 112.926 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.615 HD21 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -100.89 113.98 27.43 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 105.405 -2.072 . . . . 50.229999999999997 105.405 170.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 39.4 p -107.79 -7.41 16.33 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.827 -0.624 . . . . 73.049999999999997 112.646 -171.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.75 163.52 33.23 Favored Glycine 0 N--CA 1.425 -2.094 0 C-N-CA 120.535 -0.84 . . . . 64.5 111.416 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.615 HG13 HD21 ' B' ' 116' ' ' LEU . 4.5 m -142.12 147.09 21.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 C-N-CA 123.332 0.653 . . . . 71.0 110.866 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 p -145.13 117.89 8.69 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-N 114.8 -1.091 . . . . 73.319999999999993 109.275 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -97.14 108.32 21.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.872 -1.159 . . . . 71.420000000000002 107.872 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.475 HD13 ' CE2' ' A' ' 27' ' ' TYR . 44.1 mt -123.31 131.74 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 CA-C-N 114.5 -1.227 . . . . 74.099999999999994 108.83 -172.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 59.6 p 53.44 32.26 13.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.616 1.166 . . . . 62.409999999999997 111.706 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.07 -17.85 44.12 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.624 -0.716 . . . . 70.230000000000004 113.116 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -93.7 140.61 29.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 108.982 -0.747 . . . . 64.349999999999994 108.982 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.435 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.74 119.21 32.43 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 108.474 -0.935 . . . . 61.219999999999999 108.474 -176.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.411 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 94.4 m-85 -101.68 119.74 39.25 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.368 -0.833 . . . . 61.149999999999999 109.303 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.44 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 59.7 mtt85 -101.58 154.56 18.75 Favored 'General case' 0 CA--C 1.474 -1.957 0 CA-C-N 116.061 -0.518 . . . . 75.230000000000004 109.681 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.632 HD21 ' SG ' ' A' ' 5' ' ' CYS . 51.9 mt -118.08 125.47 50.37 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 115.761 -0.654 . . . . 75.120000000000005 109.35 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.0 p -123.95 141.16 52.28 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.206 -1.405 . . . . 71.549999999999997 107.206 169.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 6.6 t -140.01 150.98 45.09 Favored 'General case' 0 N--CA 1.423 -1.776 0 C-N-CA 118.369 -1.332 . . . . 75.200000000000003 110.597 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.421 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 26.2 ptt180 . . . . . 0 N--CA 1.433 -1.31 0 CA-C-O 118.547 -0.74 . . . . 74.299999999999997 109.833 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 109.926 -0.398 . . . . 63.509999999999998 109.926 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m -125.25 111.96 15.84 Favored 'General case' 0 N--CA 1.423 -1.803 0 N-CA-C 107.911 -1.144 . . . . 72.329999999999998 107.911 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.56 160.79 27.58 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 105.815 -1.92 . . . . 73.340000000000003 105.815 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.467 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 31.9 p90 -153.92 154.85 34.57 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 118.406 0.548 . . . . 72.319999999999993 112.213 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.68 ' SG ' HD21 ' B' ' 129' ' ' LEU . 21.4 m -91.98 110.52 21.88 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.955 -1.021 . . . . 32.409999999999997 109.227 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.504 ' HD3' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -121.21 149.95 42.07 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.358 -0.978 . . . . 73.349999999999994 108.358 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.503 HG21 ' NE ' ' A' ' 25' ' ' ARG . 41.4 p -90.34 11.03 22.63 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 121.269 0.557 . . . . 73.219999999999999 112.374 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -159.4 -115.52 0.41 Allowed Glycine 0 N--CA 1.421 -2.362 0 N-CA-C 110.48 -1.048 . . . . 75.439999999999998 110.48 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HD2' ' CZ ' ' A' ' 13' ' ' ARG . 36.0 ptt180 -105.66 171.52 7.29 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 109.797 -0.446 . . . . 75.340000000000003 109.797 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 30.4 p -141.16 164.25 30.76 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 120.723 -0.391 . . . . 73.430000000000007 110.39 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.24 82.8 1.36 Allowed 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.433 0.635 . . . . 62.030000000000001 112.218 -177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 10.7 t 166.65 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 126.062 1.745 . . . . 54.329999999999998 107.672 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.431 ' CZ ' ' HD2' ' A' ' 9' ' ' ARG . 55.9 mmt-85 60.38 -173.97 0.12 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.911 1.284 . . . . 71.230000000000004 111.146 -178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 67.94 -43.04 0.47 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.076 1.88 . . . . 65.209999999999994 116.076 170.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -91.97 90.4 7.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.192 0.52 . . . . 55.210000000000001 111.521 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -100.2 109.53 21.77 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 104.616 -2.365 . . . . 75.340000000000003 104.616 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 p -103.98 -9.53 18.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 115.271 -0.877 . . . . 64.519999999999996 112.8 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.01 164.16 34.05 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 110.999 -0.841 . . . . 65.420000000000002 110.999 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG13 HD21 ' A' ' 16' ' ' LEU . 5.9 m -142.01 145.93 23.4 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.259 0.552 . . . . 74.239999999999995 111.22 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -144.96 119.48 9.7 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.852 -1.067 . . . . 74.310000000000002 109.47 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.25 122.55 40.39 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.709 -1.219 . . . . 63.310000000000002 107.709 178.87 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -133.72 128.67 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 CA-C-N 114.338 -1.301 . . . . 75.340000000000003 108.003 -172.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.9 p 51.68 32.05 8.76 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 125.697 1.599 . . . . 73.510000000000005 113.428 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.61 72.25 Favored Glycine 0 C--O 1.241 0.562 0 C-N-CA 120.728 -0.748 . . . . 71.439999999999998 112.574 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NE ' HG21 ' A' ' 7' ' ' THR . 61.4 ttt180 -127.69 137.92 52.64 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 106.97 -1.492 . . . . 70.109999999999999 106.97 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.33 120.51 34.68 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.989 -0.684 . . . . 65.25 109.866 -173.813 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 70.4 m-85 -100.91 116.86 33.77 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.771 -0.65 . . . . 74.109999999999999 110.236 174.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 75.3 mtt85 -96.25 152.96 18.09 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.821 -0.807 . . . . 63.130000000000003 108.821 176.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.652 HD21 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.09 133.05 55.8 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.39 -0.967 . . . . 70.420000000000002 108.39 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.11 142.84 48.91 Favored 'General case' 0 CA--C 1.479 -1.776 0 N-CA-C 106.182 -1.785 . . . . 64.129999999999995 106.182 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -133.85 140.06 46.63 Favored 'General case' 0 N--CA 1.414 -2.259 0 C-N-CA 117.948 -1.501 . . . . 74.519999999999996 111.832 -174.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.256 1.408 0 CA-C-N 114.817 -1.083 . . . . 61.149999999999999 109.561 -178.348 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.422 0 CA-C-O 120.74 0.305 . . . . 63.140000000000001 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.4 m -114.46 111.18 21.01 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 108.279 -1.008 . . . . 71.200000000000003 108.279 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 44.9 m -122.02 158.09 29.92 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.212 -1.403 . . . . 31.199999999999999 107.212 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -154.82 146.87 23.63 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.178 0.513 . . . . 60.520000000000003 112.139 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' CYS . . . . . 0.652 ' SG ' HD21 ' A' ' 29' ' ' LEU . 22.8 m -86.13 123.94 31.99 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 114.597 -1.183 . . . . 64.439999999999998 108.332 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' B' ' 106' ' ' ARG . 0.0 OUTLIER -132.98 151.05 52.11 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.392 -0.596 . . . . 62.420000000000002 109.392 178.187 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 38.9 p -85.01 0.12 52.52 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 112.456 0.539 . . . . 71.409999999999997 112.456 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.55 -121.4 0.78 Allowed Glycine 0 N--CA 1.425 -2.096 0 N-CA-C 110.236 -1.145 . . . . 64.040000000000006 110.236 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -98.6 178.37 5.02 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.701 -0.852 . . . . 73.549999999999997 108.701 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.304 -1.395 0 N-CA-C 109.361 -0.607 . . . . 71.329999999999998 109.361 178.585 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.419 -1.981 0 N-CA-C 113.678 0.992 . . . . 73.319999999999993 113.678 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.403 HD21 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -90.28 112.01 23.4 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 103.323 -2.843 . . . . 70.120000000000005 103.323 166.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 28.9 p -105.24 -9.39 17.71 Favored 'General case' 0 C--N 1.27 -2.864 0 N-CA-C 113.715 1.006 . . . . 51.100000000000001 113.715 -167.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.19 164.34 34.2 Favored Glycine 0 N--CA 1.419 -2.477 0 C-N-CA 120.334 -0.936 . . . . 53.039999999999999 111.066 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.403 HG13 HD21 ' B' ' 116' ' ' LEU . 5.2 m -136.98 144.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 123.157 0.583 . . . . 70.099999999999994 110.29 175.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.5 p -142.99 117.17 9.52 Favored 'General case' 0 C--N 1.278 -2.53 0 CA-C-N 115.253 -0.885 . . . . 43.530000000000001 109.224 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.488 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.51 121.86 39.91 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 107.498 -1.297 . . . . 74.120000000000005 107.498 178.412 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 122' ' ' ILE . . . . . 0.431 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 28.4 mt -134.74 131.72 53.76 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 114.385 -1.279 . . . . 72.519999999999996 107.886 -172.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.6 p 53.47 31.27 11.92 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.176 1.39 . . . . 73.200000000000003 113.287 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.48 71.64 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.079 -0.581 . . . . 24.350000000000001 111.652 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ARG . . . . . 0.474 ' HE ' HG21 ' B' ' 107' ' ' THR . 77.5 ttt180 -131.57 136.16 47.58 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.65 -1.611 . . . . 71.030000000000001 106.65 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -94.16 128.28 40.49 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.207 -0.997 . . . . 75.340000000000003 109.64 -175.101 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 127' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.2 m-85 -111.9 106.69 15.47 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.448 -0.796 . . . . 72.549999999999997 110.237 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.405 ' C ' ' HE ' ' B' ' 106' ' ' ARG . 54.1 mtt85 -86.95 153.77 21.32 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 108.656 -0.868 . . . . 75.230000000000004 108.656 175.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.68 HD21 ' SG ' ' A' ' 5' ' ' CYS . 70.2 mt -115.94 131.73 56.85 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 109.034 -0.728 . . . . 75.319999999999993 109.034 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 28.2 p -133.38 143.47 48.96 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 106.177 -1.786 . . . . 75.120000000000005 106.177 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.1 t -139.13 152.29 47.35 Favored 'General case' 0 N--CA 1.413 -2.303 0 C-N-CA 118.745 -1.182 . . . . 62.329999999999998 110.669 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.421 -1.883 0 CA-C-O 118.066 -0.969 . . . . 71.299999999999997 108.894 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 109.008 -0.738 . . . . 61.350000000000001 109.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.495 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 41.1 m -118.52 111.98 19.31 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 108.607 -0.886 . . . . 74.129999999999995 108.607 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 m -120.11 163.66 17.35 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.616 -1.253 . . . . 74.120000000000005 107.616 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.96 146.76 22.07 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.726 0.298 . . . . 73.040000000000006 110.95 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.641 ' SG ' HD21 ' B' ' 129' ' ' LEU . 22.1 m -91.37 106.97 18.88 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.397 -0.819 . . . . 71.439999999999998 109.644 -174.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.561 ' NH1' ' HA ' ' A' ' 9' ' ' ARG 0.285 3.0 ppt_? -112.81 143.47 44.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 114.004 1.112 . . . . 61.32 114.004 -179.242 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 35.7 p -84.73 -7.28 59.27 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.222 -0.899 . . . . 63.5 112.725 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.34 -86.67 0.07 OUTLIER Glycine 0 CA--C 1.474 -2.53 0 C-N-CA 120.165 -1.016 . . . . 51.43 111.055 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.561 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 29.2 ptt180 -136.46 174.63 10.41 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 122.634 0.374 . . . . 73.25 110.093 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 8.3 p -142.87 165.19 28.05 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.718 -0.475 . . . . 73.019999999999996 109.718 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.43 82.82 1.45 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.407 0.623 . . . . 63.240000000000002 110.909 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 164.76 -20.55 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 126.099 1.76 . . . . 72.430000000000007 107.218 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 60.32 -96.41 0.06 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.952 1.464 . . . . 62.219999999999999 114.952 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.259 42.1 mt-10 -84.18 77.28 9.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.917 1.342 . . . . 74.400000000000006 113.325 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 33.8 t -139.68 25.32 2.38 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.003 -2.221 . . . . 74.340000000000003 105.003 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 19' ' ' VAL . 3.9 tt -78.07 113.36 15.93 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 106.607 -1.627 . . . . 61.520000000000003 106.607 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -113.4 -4.39 13.63 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.193 -1.367 . . . . 70.340000000000003 112.184 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.55 162.3 31.59 Favored Glycine 0 N--CA 1.428 -1.862 0 N-CA-C 111.121 -0.792 . . . . 75.430000000000007 111.121 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 16' ' ' LEU . 15.9 m -140.37 150.97 21.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.349 0.595 . . . . 63.409999999999997 112.051 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 p -152.44 120.9 6.37 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.912 -1.04 . . . . 64.430000000000007 109.206 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.61 120.46 38.04 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.132 -1.027 . . . . 73.140000000000001 108.373 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.419 HD12 HD12 ' B' ' 122' ' ' ILE . 17.8 mt -136.75 132.17 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.996 0 CA-C-N 114.153 -1.385 . . . . 72.120000000000005 107.61 -173.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 p 53.04 31.99 12.13 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 125.15 1.38 . . . . 61.350000000000001 113.511 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.21 -1.63 80.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.629 -0.796 . . . . 41.299999999999997 112.043 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -111.16 139.85 46.2 Favored 'General case' 0 CA--C 1.457 -2.632 0 CA-C-O 121.304 0.573 . . . . 72.420000000000002 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.57 112.69 24.45 Favored 'General case' 0 C--N 1.263 -3.172 0 N-CA-C 106.909 -1.515 . . . . 55.049999999999997 106.909 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' HD13 ' B' ' 122' ' ' ILE . 69.1 m-85 -93.87 102.1 14.21 Favored 'General case' 0 C--N 1.273 -2.758 0 CA-C-O 122.011 0.91 . . . . 73.219999999999999 110.796 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.0 mtt85 -91.06 138.18 31.8 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.081 -1.418 . . . . 73.140000000000001 108.201 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' SG ' ' B' ' 105' ' ' CYS . 52.4 mt -104.9 127.61 52.79 Favored 'General case' 0 C--N 1.262 -3.221 0 CA-C-N 115.617 -0.72 . . . . 54.310000000000002 109.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' SER . 6.9 p -129.73 142.65 50.67 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.582 -1.266 . . . . 71.239999999999995 107.582 171.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -137.69 164.06 29.76 Favored 'General case' 0 N--CA 1.418 -2.042 0 C-N-CA 118.794 -1.162 . . . . 72.439999999999998 111.002 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 27.3 ptt180 . . . . . 0 C--O 1.257 1.469 0 N-CA-C 108.944 -0.762 . . . . 72.519999999999996 108.944 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.09 -0.337 . . . . 62.240000000000002 110.09 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.425 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 62.1 m -128.38 113.01 15.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.775 -0.824 . . . . 43.140000000000001 108.775 174.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 23.7 m -124.62 166.83 15.42 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 106.15 -1.796 . . . . 74.030000000000001 106.15 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -160.1 156.31 26.61 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 117.953 0.342 . . . . 73.510000000000005 111.105 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.544 ' SG ' HD11 ' A' ' 29' ' ' LEU . 24.4 m -90.44 116.0 28.03 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.589 -0.732 . . . . 33.119999999999997 109.618 -175.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.5 ptt180 -109.79 143.54 39.49 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 116.188 -0.46 . . . . 73.040000000000006 110.656 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 35.8 p -87.29 -3.84 59.05 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.423 0.63 . . . . 73.109999999999999 111.31 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.519 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -166.79 -103.9 0.17 Allowed Glycine 0 N--CA 1.419 -2.487 0 N-CA-C 108.748 -1.741 . . . . 62.030000000000001 108.748 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.409 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.3 ptt180 -106.29 166.87 10.22 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.345 -0.542 . . . . 74.209999999999994 110.998 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.7 p -139.01 166.63 24.0 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 107.598 -1.26 . . . . 74.450000000000003 107.598 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.453 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -72.82 85.44 1.24 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.503 0.668 . . . . 54.109999999999999 111.78 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 14.4 t 166.46 -28.99 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 125.325 1.45 . . . . 72.530000000000001 107.451 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 61.85 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.359 0.991 0 N-CA-C 114.512 1.301 . . . . 74.409999999999997 114.512 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.11 86.76 4.25 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 121.569 0.699 . . . . 75.0 112.63 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.6 t -175.87 66.8 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 113.931 -1.486 . . . . 63.030000000000001 107.411 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.587 HD21 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -99.76 109.29 21.74 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.53 -1.656 . . . . 75.230000000000004 106.53 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.0 p -107.22 -9.53 16.08 Favored 'General case' 0 C--N 1.269 -2.91 0 CA-C-N 114.163 -1.381 . . . . 64.549999999999997 112.39 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.34 163.93 34.13 Favored Glycine 0 N--CA 1.42 -2.393 0 C-N-CA 120.404 -0.903 . . . . 31.309999999999999 111.059 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.587 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -143.09 143.1 25.34 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 123.367 0.667 . . . . 75.030000000000001 111.259 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.2 p -144.37 122.02 11.83 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 115.031 -0.986 . . . . 74.230000000000004 110.0 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -97.17 114.99 26.75 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.272 -1.381 . . . . 55.020000000000003 107.272 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.498 HD13 ' CE2' ' A' ' 27' ' ' TYR . 22.0 mt -135.62 140.47 44.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 107.387 -1.338 . . . . 74.150000000000006 107.387 -174.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.9 p 53.76 31.82 13.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.719 1.208 . . . . 70.109999999999999 111.744 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.06 8.29 78.33 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.477 -0.783 . . . . 43.439999999999998 113.462 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -116.21 146.22 42.5 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 107.735 -1.209 . . . . 74.5 107.735 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.56 123.22 37.86 Favored 'General case' 0 N--CA 1.432 -1.339 0 C-N-CA 118.895 -1.122 . . . . 64.329999999999998 109.48 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' B' ' 122' ' ' ILE . 97.6 m-85 -103.97 112.94 26.14 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 115.493 -0.776 . . . . 75.349999999999994 109.559 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.7 mtt85 -93.27 153.27 18.68 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 108.953 -0.758 . . . . 54.219999999999999 108.953 176.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.641 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.5 mt -112.24 125.35 54.06 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 108.354 -0.98 . . . . 74.230000000000004 108.354 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.2 134.55 54.71 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.009 -1.108 . . . . 71.439999999999998 108.009 172.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 11.2 t -133.51 159.56 40.04 Favored 'General case' 0 N--CA 1.406 -2.632 0 C-N-CA 119.979 -0.689 . . . . 64.230000000000004 109.271 -173.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.425 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 25.8 ptt180 . . . . . 0 N--CA 1.424 -1.764 0 O-C-N 123.527 0.517 . . . . 71.109999999999999 110.726 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 109.47 -0.567 . . . . 72.040000000000006 109.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m -122.74 112.14 17.57 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.298 -1.001 . . . . 75.340000000000003 108.298 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.1 m -122.36 165.26 16.56 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.924 -1.51 . . . . 75.219999999999999 106.924 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -158.4 151.4 22.62 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 120.547 0.213 . . . . 72.510000000000005 110.904 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.9 m -89.21 105.1 17.57 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 123.939 0.775 . . . . 64.540000000000006 109.703 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.1 ptt180 -99.81 154.2 18.52 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.497 . . . . 74.120000000000005 110.569 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' ' HD3' ' A' ' 25' ' ' ARG . 60.0 p -97.57 -7.19 31.81 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.368 0.604 . . . . 71.310000000000002 111.038 -177.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -155.23 -109.56 0.33 Allowed Glycine 0 N--CA 1.423 -2.223 0 N-CA-C 109.708 -1.357 . . . . 35.340000000000003 109.708 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.466 ' HA ' HH11 ' A' ' 6' ' ' ARG . 14.9 ptp180 -107.42 170.87 7.71 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 117.027 0.413 . . . . 34.229999999999997 110.779 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 26.1 p -146.77 166.33 26.96 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 122.216 -0.302 . . . . 74.310000000000002 110.216 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.17 90.11 1.55 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.568 0.699 . . . . 62.210000000000001 111.574 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t 167.73 -39.03 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 126.563 1.945 . . . . 74.450000000000003 106.255 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 59.84 136.04 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 N-CA-C 116.674 2.102 . . . . 63.219999999999999 116.674 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 69.78 -15.04 0.33 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 115.434 1.642 . . . . 64.530000000000001 115.434 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.4 t -77.25 76.36 3.8 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 121.93 0.872 . . . . 34.130000000000003 109.175 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -101.2 116.96 34.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 105.619 -1.993 . . . . 74.230000000000004 105.619 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 p -108.53 -15.8 14.35 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-N 115.474 -0.784 . . . . 64.239999999999995 112.757 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.23 164.39 34.87 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 110.471 -1.052 . . . . 62.020000000000003 110.471 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.574 HG13 HD21 ' A' ' 16' ' ' LEU . 12.5 m -139.98 152.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-O 121.603 0.716 . . . . 75.030000000000001 111.938 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -148.06 120.03 8.21 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 114.574 -1.194 . . . . 75.510000000000005 109.302 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HB2' HD22 ' A' ' 26' ' ' LEU . 2.1 tm-20 -97.41 120.64 38.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.126 -1.064 . . . . 75.510000000000005 108.126 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' B' ' 127' ' ' TYR . 24.4 mt -136.72 133.31 48.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-N 114.652 -1.158 . . . . 74.140000000000001 107.966 -172.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 53.53 31.07 11.69 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.45 1.5 . . . . 72.299999999999997 113.128 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.64 -0.77 88.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.025 -0.607 . . . . 72.010000000000005 112.369 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 43.1 ttm180 -111.75 141.31 45.53 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 108.466 -0.939 . . . . 62.350000000000001 108.466 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.94 121.79 35.77 Favored 'General case' 0 N--CA 1.427 -1.622 0 N-CA-C 108.53 -0.915 . . . . 71.099999999999994 108.53 -177.476 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CE2' HD13 ' B' ' 122' ' ' ILE . 79.5 m-85 -101.6 110.16 22.1 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 115.538 -0.756 . . . . 75.340000000000003 110.128 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.48 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.8 mtt85 -92.77 151.19 20.16 Favored 'General case' 0 CA--C 1.474 -1.965 0 CA-C-N 115.143 -0.935 . . . . 65.120000000000005 109.183 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD21 ' SG ' ' B' ' 105' ' ' CYS . 58.7 mt -112.55 126.41 55.32 Favored 'General case' 0 N--CA 1.394 -3.241 0 N-CA-C 108.868 -0.789 . . . . 72.409999999999997 108.868 178.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 p -126.52 142.28 51.59 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 106.966 -1.494 . . . . 54.43 106.966 171.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 t -138.65 155.99 47.81 Favored 'General case' 0 N--CA 1.414 -2.26 0 C-N-CA 118.396 -1.322 . . . . 62.229999999999997 110.993 -172.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.464 0 CA-C-N 115.368 -0.833 . . . . 70.129999999999995 109.45 -178.714 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 110.507 -0.183 . . . . 54.219999999999999 110.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.523 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 55.7 m -115.91 112.6 22.12 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.5 -1.296 . . . . 64.25 107.5 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 m -123.38 167.44 13.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.783 -1.192 . . . . 34.43 107.783 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -162.67 150.61 13.98 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 120.749 0.309 . . . . 74.519999999999996 111.14 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.576 ' SG ' HD21 ' A' ' 29' ' ' LEU . 27.7 m -85.84 130.0 34.67 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.382 -0.826 . . . . 60.020000000000003 108.893 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.563 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 1.1 ppt_? -140.61 138.25 34.26 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-O 121.732 0.777 . . . . 71.140000000000001 112.78 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 46.5 p -80.29 -11.75 59.68 Favored 'General case' 0 C--N 1.278 -2.5 0 CA-C-N 114.884 -1.053 . . . . 62.210000000000001 112.989 -172.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -146.01 -113.32 0.81 Allowed Glycine 0 CA--C 1.464 -3.096 0 N-CA-C 108.92 -1.672 . . . . 71.519999999999996 108.92 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -102.61 178.68 4.51 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 108.66 -0.867 . . . . 64.129999999999995 108.66 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.563 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 26.9 p -144.43 162.14 37.25 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.81 -0.441 . . . . 71.019999999999996 109.81 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.18 84.35 1.35 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.294 0.569 . . . . 70.030000000000001 111.385 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 10.2 t 166.44 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 126.064 1.745 . . . . 65.420000000000002 108.291 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 53.49 -167.48 0.06 Allowed 'General case' 0 C--N 1.37 1.457 0 C-N-CA 123.204 0.602 . . . . 74.340000000000003 112.265 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 70.69 -69.87 0.17 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.29 1.036 . . . . 74.329999999999998 113.382 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 45.8 t -75.14 87.15 2.42 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 113.758 1.022 . . . . 72.420000000000002 113.758 -171.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.464 HD21 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -100.76 106.74 18.18 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 103.947 -2.612 . . . . 74.099999999999994 103.947 166.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.6 p -109.99 -5.71 15.37 Favored 'General case' 0 C--N 1.262 -3.222 0 CA-C-N 114.556 -1.202 . . . . 62.439999999999998 112.624 -169.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.22 163.78 33.32 Favored Glycine 0 N--CA 1.42 -2.389 0 N-CA-C 110.847 -0.901 . . . . 24.149999999999999 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.464 HG13 HD21 ' B' ' 116' ' ' LEU . 6.3 m -141.3 147.13 22.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 123.466 0.706 . . . . 71.200000000000003 110.131 175.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.8 p -149.47 117.81 6.46 Favored 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 115.227 -0.897 . . . . 65.319999999999993 109.046 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.606 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.4 OUTLIER -97.22 120.91 38.46 Favored 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 107.741 -1.207 . . . . 55.340000000000003 107.741 178.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.422 HD13 ' CE2' ' A' ' 27' ' ' TYR . 33.0 mt -133.49 128.17 54.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 114.485 -1.234 . . . . 72.140000000000001 108.931 -171.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.2 p 54.02 32.12 14.91 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.201 1.4 . . . . 54.310000000000002 113.301 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.23 6.18 71.7 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.803 -0.713 . . . . 50.109999999999999 112.742 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.488 ' HD3' HG21 ' B' ' 107' ' ' THR . 38.7 ttm180 -123.01 141.48 51.91 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 108.262 -1.014 . . . . 75.5 108.262 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.1 OUTLIER -93.58 125.41 38.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.366 -0.976 . . . . 55.200000000000003 108.366 -175.626 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 22' ' ' ILE . 82.5 m-85 -107.84 102.38 11.59 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 121.522 0.677 . . . . 73.340000000000003 110.642 176.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 64.3 mtt85 -84.41 150.64 25.19 Favored 'General case' 0 CA--C 1.482 -1.663 0 N-CA-C 108.354 -0.98 . . . . 74.040000000000006 108.354 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.59 HD21 ' SG ' ' A' ' 5' ' ' CYS . 67.7 mt -110.77 131.46 55.03 Favored 'General case' 0 C--N 1.266 -3.026 0 N-CA-C 109.204 -0.665 . . . . 71.099999999999994 109.204 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.558 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 26.4 p -129.22 142.78 50.76 Favored 'General case' 0 CA--C 1.474 -1.954 0 N-CA-C 107.993 -1.114 . . . . 74.230000000000004 107.993 173.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.7 t -138.72 163.78 31.27 Favored 'General case' 0 N--CA 1.403 -2.786 0 C-N-CA 119.149 -1.02 . . . . 74.400000000000006 110.196 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.523 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 9.3 ptm180 . . . . . 0 C--N 1.294 -1.83 0 C-N-CA 124.076 0.95 . . . . 72.140000000000001 109.864 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.534 ' HB3' ' OG ' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 108.677 -0.86 . . . . 74.219999999999999 108.677 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.419 ' HB ' ' NE ' ' A' ' 32' ' ' ARG . 33.6 m -122.49 111.9 17.38 Favored 'General case' 0 N--CA 1.425 -1.694 0 C-N-CA 119.777 -0.769 . . . . 64.129999999999995 109.068 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.65 166.6 15.84 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 106.896 -1.52 . . . . 74.129999999999995 106.896 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -161.25 149.12 15.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 120.619 0.247 . . . . 73.120000000000005 110.391 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.664 ' SG ' HD21 ' B' ' 129' ' ' LEU . 34.8 m -88.86 111.51 22.15 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 115.673 -0.694 . . . . 73.239999999999995 110.424 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.9 ptt180 -102.99 148.71 25.34 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.926 -0.579 . . . . 75.040000000000006 110.337 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.42 HG21 ' HE ' ' A' ' 25' ' ' ARG . 4.9 m -90.78 -2.4 57.79 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.432 -0.804 . . . . 75.219999999999999 110.406 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.552 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -169.57 -103.73 0.17 Allowed Glycine 0 N--CA 1.418 -2.525 0 N-CA-C 108.817 -1.713 . . . . 35.340000000000003 108.817 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -101.0 168.9 9.31 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.605 -0.438 . . . . 65.209999999999994 110.288 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.17 163.75 29.65 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.795 -1.558 . . . . 75.040000000000006 106.795 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.46 73.16 1.9 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.462 0.648 . . . . 74.420000000000002 112.744 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t 173.16 -50.41 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 125.629 1.572 . . . . 60.520000000000003 108.566 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 56.17 -167.76 0.1 Allowed 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.638 0.775 . . . . 72.439999999999998 111.335 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 73.18 -51.57 0.71 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.673 1.189 . . . . 75.340000000000003 111.067 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.3 t -77.67 75.13 4.22 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-O 121.78 0.8 . . . . 53.0 109.819 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.547 HD21 HG13 ' A' ' 19' ' ' VAL . 4.9 tt -100.68 107.64 19.31 Favored 'General case' 0 N--CA 1.427 -1.601 0 N-CA-C 104.914 -2.254 . . . . 72.239999999999995 104.914 171.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 p -106.81 -9.94 16.22 Favored 'General case' 0 C--N 1.263 -3.176 0 CA-C-N 114.661 -1.154 . . . . 72.519999999999996 112.731 -169.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.86 164.12 34.08 Favored Glycine 0 N--CA 1.416 -2.643 0 N-CA-C 110.693 -0.963 . . . . 72.329999999999998 110.693 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.547 HG13 HD21 ' A' ' 16' ' ' LEU . 15.2 m -141.2 153.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 121.708 0.766 . . . . 75.299999999999997 111.213 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -149.58 117.7 6.37 Favored 'General case' 0 C--N 1.277 -2.543 0 CA-C-N 114.615 -1.175 . . . . 64.310000000000002 109.608 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.5 119.6 36.35 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.884 -1.154 . . . . 64.049999999999997 107.884 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.537 HD13 ' CE2' ' B' ' 127' ' ' TYR . 28.2 mt -129.33 125.2 61.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-N 114.272 -1.331 . . . . 64.230000000000004 108.41 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.9 p 54.38 31.59 14.82 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 125.736 1.614 . . . . 72.420000000000002 112.913 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 22.53 64.11 Favored Glycine 0 CA--C 1.508 -0.381 0 N-CA-C 111.888 -0.485 . . . . 22.210000000000001 111.888 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HE ' HG21 ' A' ' 7' ' ' THR . 43.4 ttt180 -129.78 132.27 46.48 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.264 -1.754 . . . . 51.310000000000002 106.264 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.87 128.16 40.0 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.336 -0.946 . . . . 72.540000000000006 109.346 -174.199 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.47 115.31 29.41 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.226 -0.897 . . . . 73.049999999999997 109.978 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 69.8 mtt85 -96.93 152.74 18.41 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-N 115.454 -0.794 . . . . 74.420000000000002 109.126 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.611 HD21 ' SG ' ' B' ' 105' ' ' CYS . 56.3 mt -113.04 123.54 50.54 Favored 'General case' 0 C--N 1.266 -3.056 0 N-CA-C 108.617 -0.883 . . . . 72.340000000000003 108.617 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 p -122.17 131.28 53.87 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.617 -1.253 . . . . 54.530000000000001 107.617 171.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.3 t -135.61 149.63 49.42 Favored 'General case' 0 N--CA 1.422 -1.862 0 C-N-CA 120.075 -0.65 . . . . 52.0 109.315 -172.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NE ' ' HB ' ' A' ' 2' ' ' THR . 41.7 ptt180 . . . . . 0 C--N 1.312 -1.058 0 C-N-CA 120.737 -0.385 . . . . 72.129999999999995 110.451 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.096 -0.335 . . . . 62.399999999999999 110.096 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.489 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 91.7 m -118.3 112.18 19.73 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.399 -0.963 . . . . 71.430000000000007 108.399 173.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 58.6 m -117.58 159.65 22.54 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.723 -1.214 . . . . 73.540000000000006 107.723 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -154.04 144.07 21.96 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.782 0.325 . . . . 73.420000000000002 110.785 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.2 m -87.03 114.69 23.85 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.2 -0.909 . . . . 64.319999999999993 109.201 -176.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.547 ' NH1' ' HA ' ' B' ' 109' ' ' ARG 0.317 4.0 ppt_? -120.56 134.16 55.31 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 113.907 1.077 . . . . 74.439999999999998 113.907 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 23.0 p -80.49 -3.01 48.37 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.332 -1.304 . . . . 74.239999999999995 112.823 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 -110.23 0.59 Allowed Glycine 0 CA--C 1.458 -3.504 0 N-CA-C 108.253 -1.939 . . . . 61.240000000000002 108.253 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.547 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.9 ptt180 -115.5 177.86 4.51 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.09 0.471 . . . . 74.209999999999994 110.216 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.508 ' C ' ' H ' ' B' ' 112' ' ' THR . 9.5 p -139.04 169.51 17.66 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 104.928 -2.249 . . . . 74.519999999999996 104.928 172.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.66 27.64 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.001 0.819 . . . . 64.430000000000007 111.846 -175.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 110' ' ' CYS . 9.8 t -166.21 80.48 0.27 Allowed 'General case' 0 N--CA 1.413 -2.286 0 C-N-CA 124.945 1.298 . . . . 72.120000000000005 108.497 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -70.47 -29.61 66.2 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 113.696 0.999 . . . . 73.430000000000007 113.696 -175.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.46 -9.26 56.04 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.391 0.615 . . . . 63.009999999999998 110.446 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 38.7 t -88.3 16.77 5.86 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.84 -0.618 . . . . 75.409999999999997 110.217 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.45 HD21 HG13 ' B' ' 119' ' ' VAL . 3.3 tt -76.28 115.49 16.05 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.906 -1.887 . . . . 64.310000000000002 105.906 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 17.8 m -115.04 -8.97 12.42 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.558 -1.656 . . . . 75.239999999999995 111.4 -171.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.67 164.44 34.67 Favored Glycine 0 N--CA 1.427 -1.966 0 C-N-CA 120.541 -0.838 . . . . 62.5 111.373 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.45 HG13 HD21 ' B' ' 116' ' ' LEU . 6.7 m -141.11 149.73 20.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 123.467 0.707 . . . . 71.019999999999996 110.956 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.02 118.52 6.93 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 114.864 -1.062 . . . . 72.040000000000006 109.372 174.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.587 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.57 118.74 34.76 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 107.926 -1.139 . . . . 72.329999999999998 107.926 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.32 126.98 66.78 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 114.258 -1.337 . . . . 70.439999999999998 108.756 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 64.5 p 52.15 31.66 9.37 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 125.659 1.584 . . . . 54.030000000000001 113.292 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.87 18.06 64.2 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.655 -0.783 . . . . 42.299999999999997 112.288 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -129.27 135.31 48.61 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.486 -1.301 . . . . 63.350000000000001 107.486 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.79 122.73 36.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.09 -0.644 . . . . 72.439999999999998 109.93 -173.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.537 ' CE2' HD13 ' A' ' 22' ' ' ILE . 70.4 m-85 -106.07 110.65 22.97 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.515 -0.766 . . . . 73.430000000000007 110.552 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.538 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.2 mtt85 -95.79 139.05 32.57 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.752 -0.658 . . . . 72.209999999999994 109.349 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.664 HD21 ' SG ' ' A' ' 5' ' ' CYS . 50.3 mt -105.75 114.13 28.1 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-N 115.855 -0.611 . . . . 42.439999999999998 110.259 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' B' ' 115' ' ' SER . 4.9 p -112.38 141.12 46.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.355 -0.98 . . . . 72.549999999999997 108.355 171.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.7 t -145.06 142.33 29.63 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 119.02 -1.072 . . . . 62.310000000000002 111.796 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.489 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 17.2 ptm180 . . . . . 0 C--N 1.304 -1.399 0 CA-C-N 115.357 -0.838 . . . . 71.310000000000002 109.928 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.79 0 CA-C-O 120.834 0.35 . . . . 33.130000000000003 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.458 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 26.1 m -128.98 112.21 13.81 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.602 -1.629 . . . . 61.130000000000003 106.602 172.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.0 m -123.29 160.03 27.54 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.288 -1.745 . . . . 73.310000000000002 106.288 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 29.2 p90 -154.55 146.71 23.73 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 118.137 0.426 . . . . 72.099999999999994 111.979 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.701 ' SG ' HD21 ' B' ' 129' ' ' LEU . 37.3 m -87.93 101.66 13.96 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.205 -0.907 . . . . 73.510000000000005 110.108 -176.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.62 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.3 ppt_? -114.67 142.09 46.94 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 113.436 0.902 . . . . 75.439999999999998 113.436 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 25' ' ' ARG . 21.6 p -89.85 0.3 57.12 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.163 -0.926 . . . . 43.43 113.473 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.2 -99.88 0.62 Allowed Glycine 0 CA--C 1.479 -2.212 0 N-CA-C 109.969 -1.253 . . . . 73.319999999999993 109.969 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.62 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 12.2 ptp180 -135.29 178.47 7.01 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.351 -0.981 . . . . 75.25 108.351 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 21.1 p -146.7 158.52 43.92 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 120.705 -0.398 . . . . 53.020000000000003 110.98 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.38 91.04 1.71 Allowed 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 123.591 0.557 . . . . 73.349999999999994 110.303 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 13.2 t 161.45 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 105.082 -2.192 . . . . 74.109999999999999 105.082 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 0.276 7.0 mmm180 59.34 -84.27 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.615 2.08 . . . . 63.210000000000001 116.615 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.02 78.89 9.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-O 122.223 1.011 . . . . 73.310000000000002 109.991 -173.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -153.95 20.51 0.51 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.951 -1.477 . . . . 74.439999999999998 108.038 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.503 HD21 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -77.85 111.07 13.3 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 105.221 -2.14 . . . . 73.519999999999996 105.221 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 p -113.78 -7.23 13.26 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-N 114.094 -1.412 . . . . 71.109999999999999 112.057 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.59 163.57 33.43 Favored Glycine 0 N--CA 1.404 -3.464 0 N-CA-C 110.761 -0.936 . . . . 73.019999999999996 110.761 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG13 HD21 ' A' ' 16' ' ' LEU . 11.1 m -139.49 151.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.242 0.544 . . . . 61.020000000000003 110.853 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.67 118.68 8.21 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.742 -1.117 . . . . 73.420000000000002 108.84 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.94 123.38 40.64 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.438 -1.319 . . . . 64.319999999999993 107.438 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.416 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 41.4 mt -135.37 125.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.205 0 CA-C-N 114.624 -1.171 . . . . 70.230000000000004 108.843 -172.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.7 p 55.44 31.97 17.99 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 125.627 1.571 . . . . 61.109999999999999 113.045 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.45 19.28 64.53 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.852 -0.69 . . . . 53.009999999999998 112.232 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HD3' HG21 ' A' ' 7' ' ' THR . 39.7 ttm180 -129.46 134.03 47.6 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 107.592 -1.262 . . . . 71.120000000000005 107.592 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 120.42 34.13 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.956 -0.698 . . . . 72.420000000000002 109.262 -175.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.587 ' CE2' HD13 ' B' ' 122' ' ' ILE . 73.2 m-85 -101.68 118.18 36.41 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.507 -0.77 . . . . 72.409999999999997 110.243 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 57.7 mtt85 -101.17 140.09 35.95 Favored 'General case' 0 CA--C 1.485 -1.542 0 C-N-CA 123.36 0.664 . . . . 72.299999999999997 109.21 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.65 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.6 mt -105.62 124.22 49.2 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 115.758 -0.655 . . . . 74.299999999999997 110.208 -177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 15' ' ' SER . 14.5 p -133.01 143.6 49.53 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 108.271 -1.011 . . . . 54.420000000000002 108.271 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 t -141.65 162.04 36.45 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.208 -0.997 . . . . 74.420000000000002 110.888 -170.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 33.1 ptt180 . . . . . 0 C--O 1.257 1.49 0 N-CA-C 109.732 -0.47 . . . . 55.140000000000001 109.732 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.898 0 N-CA-C 109.021 -0.733 . . . . 72.530000000000001 109.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.8 m -142.63 112.32 6.83 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.825 -0.806 . . . . 73.230000000000004 108.825 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 18.3 m -125.6 154.72 41.84 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 106.081 -1.822 . . . . 71.129999999999995 106.081 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 40.3 p90 -150.18 143.47 25.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.147 0.795 . . . . 71.140000000000001 113.147 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.65 ' SG ' HD21 ' A' ' 29' ' ' LEU . 33.5 m -78.31 106.16 10.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.744 -1.116 . . . . 50.130000000000003 109.93 -177.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.531 ' HD2' ' HB2' ' B' ' 128' ' ' ARG . 3.6 ppt_? -118.65 130.99 56.16 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.921 0.867 . . . . 74.239999999999995 112.872 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' B' ' 125' ' ' ARG . 30.4 p -74.38 -16.33 60.9 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-N 114.557 -1.201 . . . . 74.400000000000006 112.902 -174.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.42 -91.26 0.14 Allowed Glycine 0 CA--C 1.456 -3.612 0 C-N-CA 119.537 -1.316 . . . . 52.240000000000002 110.449 -175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -119.82 177.65 4.89 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.39 -0.967 . . . . 65.519999999999996 108.39 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.489 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 22.4 p -147.47 166.55 26.91 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 119.72 -0.181 . . . . 75.129999999999995 110.727 175.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.27 84.37 3.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.327 0.584 . . . . 72.400000000000006 110.706 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 11.3 t 158.13 -21.71 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 104.861 -2.274 . . . . 64.150000000000006 104.861 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.293 16.9 mmm-85 68.76 -109.88 0.09 Allowed 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.187 -1.824 . . . . 75.319999999999993 114.917 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . 0.366 12.8 mm-40 -91.71 80.8 5.29 Favored 'General case' 0 N--CA 1.414 -2.259 0 N-CA-C 115.307 1.595 . . . . 51.299999999999997 115.307 -172.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 35.1 t -123.82 42.33 3.26 Favored 'General case' 0 C--N 1.272 -2.773 0 N-CA-C 103.768 -2.679 . . . . 54.399999999999999 103.768 172.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.523 HD21 HG13 ' B' ' 119' ' ' VAL . 3.9 tt -77.5 116.67 18.26 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.054 -1.461 . . . . 55.240000000000002 107.054 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.2 p -118.17 -7.2 10.82 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.264 -1.334 . . . . 75.430000000000007 112.216 -172.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.88 164.02 33.91 Favored Glycine 0 N--CA 1.422 -2.247 0 N-CA-C 110.349 -1.1 . . . . 72.430000000000007 110.349 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.523 HG13 HD21 ' B' ' 116' ' ' LEU . 14.1 m -138.67 151.83 24.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.246 0.546 . . . . 73.230000000000004 110.57 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.7 p -143.93 112.84 6.69 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 115.273 -0.876 . . . . 74.099999999999994 109.509 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.521 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -98.26 121.43 40.17 Favored 'General case' 0 N--CA 1.413 -2.324 0 N-CA-C 108.097 -1.075 . . . . 75.219999999999999 108.097 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.587 HD13 ' CE2' ' A' ' 27' ' ' TYR . 18.6 mt -129.81 121.63 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 114.536 -1.211 . . . . 74.319999999999993 108.712 -172.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 57.1 p 51.33 32.19 8.08 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.264 1.426 . . . . 75.140000000000001 113.946 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 100.71 -10.78 59.19 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.385 -0.436 . . . . 74.439999999999998 113.305 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.488 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 62.9 ttt180 -104.73 135.76 45.52 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.771 -0.826 . . . . 75.319999999999993 108.771 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.49 123.35 37.86 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.05 -0.66 . . . . 74.420000000000002 109.417 -176.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.488 ' OH ' ' HD3' ' B' ' 125' ' ' ARG . 94.4 m-85 -105.96 112.32 25.32 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.683 -0.69 . . . . 63.420000000000002 109.525 175.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.531 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 76.7 mtt85 -91.48 142.82 27.24 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 109.374 -0.602 . . . . 64.510000000000005 109.374 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.701 HD21 ' SG ' ' A' ' 5' ' ' CYS . 71.3 mt -105.74 126.12 51.79 Favored 'General case' 0 C--N 1.272 -2.769 0 N-CA-C 109.347 -0.612 . . . . 71.030000000000001 109.347 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' B' ' 115' ' ' SER . 22.7 p -126.07 142.43 51.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.192 -1.41 . . . . 74.049999999999997 107.192 172.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 27.3 t -142.28 152.4 42.97 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.285 -0.966 . . . . 73.129999999999995 110.818 -172.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.424 ' HG3' ' OXT' ' B' ' 132' ' ' ARG . 26.5 ptt180 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 118.596 -0.716 . . . . 75.230000000000004 109.116 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.292 -0.633 . . . . 74.230000000000004 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m -120.85 111.46 17.58 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.413 -0.958 . . . . 70.209999999999994 108.413 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.2 m -123.39 164.0 19.71 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.473 -0.936 . . . . 53.530000000000001 108.473 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -157.79 144.4 17.82 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 122.508 0.323 . . . . 74.540000000000006 110.214 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.631 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.8 m -88.65 119.98 29.61 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.824 -0.626 . . . . 71.409999999999997 109.423 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.596 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.2 ppt_? -129.1 135.32 48.73 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 113.397 0.888 . . . . 73.430000000000007 113.397 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 42.4 p -82.22 -11.46 58.67 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.061 -0.972 . . . . 75.209999999999994 112.303 -173.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -131.61 -119.22 2.06 Favored Glycine 0 CA--C 1.456 -3.605 0 N-CA-C 108.78 -1.728 . . . . 54.530000000000001 108.78 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.596 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 18.3 ptp180 -107.89 177.97 4.66 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 109.292 -0.632 . . . . 71.129999999999995 109.292 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 14.2 p -138.29 160.54 39.22 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.491 -0.929 . . . . 64.430000000000007 108.491 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.13 79.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 63.240000000000002 112.087 -174.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 169.07 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.432 1.493 . . . . 64.129999999999995 107.821 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 66.51 -75.42 0.06 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.131 0.972 . . . . 71.299999999999997 112.764 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.78 87.1 3.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.69 0.757 . . . . 72.430000000000007 110.158 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 40.7 t -166.65 14.39 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.175 -1.375 . . . . 64.019999999999996 108.117 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.76 112.92 16.38 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 106.977 -1.49 . . . . 63.43 106.977 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB3' ' HB3' ' B' ' 101' ' ' ALA . 25.7 p -116.76 -4.45 11.63 Favored 'General case' 0 C--N 1.27 -2.86 0 CA-C-N 113.952 -1.477 . . . . 44.130000000000003 112.294 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 163.95 34.16 Favored Glycine 0 N--CA 1.418 -2.565 0 C-N-CA 120.178 -1.01 . . . . 64.219999999999999 111.81 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.441 HG13 HD21 ' A' ' 16' ' ' LEU . 9.2 m -143.32 147.31 20.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 123.292 0.637 . . . . 75.200000000000003 111.008 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -146.96 119.5 8.49 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 114.875 -1.057 . . . . 74.150000000000006 109.269 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.45 122.61 40.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.847 -1.168 . . . . 63.299999999999997 107.847 178.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.466 HD13 ' CE2' ' B' ' 127' ' ' TYR . 31.8 mt -130.16 120.94 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 114.541 -1.208 . . . . 73.150000000000006 108.916 -172.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.4 p 52.93 33.1 13.82 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.814 1.246 . . . . 72.540000000000006 113.594 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 -11.47 68.46 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.213 -0.448 . . . . 65.209999999999994 112.514 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HE ' HG21 ' A' ' 7' ' ' THR . 75.1 ttt180 -103.33 132.25 49.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.072 -1.084 . . . . 60.130000000000003 108.072 -174.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -93.55 125.21 38.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.198 -0.667 . . . . 73.340000000000003 109.198 -174.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CE2' HD13 ' B' ' 122' ' ' ILE . 67.6 m-85 -106.31 111.6 24.25 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 123.157 0.583 . . . . 62.299999999999997 110.9 176.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.4 mtt85 -93.76 143.66 26.12 Favored 'General case' 0 CA--C 1.48 -1.714 0 CA-C-N 115.44 -0.8 . . . . 60.119999999999997 108.876 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.626 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.4 mt -108.22 127.89 54.23 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 109.079 -0.711 . . . . 72.439999999999998 109.079 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 15' ' ' SER . 8.7 p -129.18 142.51 50.84 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 108.177 -1.045 . . . . 45.399999999999999 108.177 171.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 t -147.3 153.71 40.06 Favored 'General case' 0 N--CA 1.416 -2.162 0 C-N-CA 119.184 -1.006 . . . . 74.129999999999995 111.274 -168.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 . . . . . 0 C--O 1.255 1.392 0 CA-C-N 115.496 -0.775 . . . . 74.439999999999998 109.393 177.464 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 109.044 -0.725 . . . . 72.349999999999994 109.044 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 52.6 m -124.97 111.49 15.47 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.283 -1.006 . . . . 73.140000000000001 108.283 175.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.6 m -123.94 156.09 36.98 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.304 -1.369 . . . . 74.030000000000001 107.304 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -151.81 151.15 30.96 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 120.504 0.192 . . . . 72.530000000000001 110.579 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.626 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.4 m -94.64 109.67 21.57 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.881 0.738 . . . . 62.420000000000002 110.63 -174.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.553 ' HD3' ' C ' ' B' ' 109' ' ' ARG . 7.1 ptt180 -98.88 147.7 24.68 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.958 0.409 . . . . 65.230000000000004 111.525 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.3 p -96.07 5.25 51.56 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.638 -0.71 . . . . 65.25 111.589 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -172.74 -75.54 0.05 OUTLIER Glycine 0 N--CA 1.42 -2.375 0 N-CA-C 110.221 -1.152 . . . . 11.4 110.221 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.553 ' C ' ' HD3' ' B' ' 106' ' ' ARG . 16.6 ptp180 -132.07 162.73 30.09 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.657 0.265 . . . . 64.219999999999999 111.441 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -136.47 150.97 48.97 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 109.213 -0.662 . . . . 74.340000000000003 109.213 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.6 84.34 1.57 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.205 0.526 . . . . 71.319999999999993 110.885 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.1 t 165.71 -29.53 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 126.191 1.796 . . . . 73.409999999999997 106.853 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 62.59 -79.25 0.03 OUTLIER 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.302 1.223 . . . . 73.439999999999998 114.302 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.52 81.36 7.79 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 122.332 1.063 . . . . 53.109999999999999 110.504 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 30.5 t -157.46 21.67 0.29 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.678 -1.601 . . . . 62.5 106.831 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.447 HD21 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -78.8 123.42 27.18 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.278 -1.749 . . . . 71.0 106.278 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.48 ' HB3' ' HB3' ' A' ' 1' ' ' ALA . 16.1 p -125.64 -1.72 7.37 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 114.988 -1.006 . . . . 75.519999999999996 112.866 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.73 163.58 33.35 Favored Glycine 0 N--CA 1.428 -1.836 0 N-CA-C 110.646 -0.981 . . . . 73.239999999999995 110.646 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.447 HG13 HD21 ' B' ' 116' ' ' LEU . 12.4 m -143.28 145.71 22.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 CA-C-O 121.166 0.508 . . . . 70.209999999999994 111.046 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.6 p -143.31 124.45 14.51 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 115.263 -0.88 . . . . 75.329999999999998 109.648 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.3 118.94 36.09 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 108.091 -1.077 . . . . 74.109999999999999 108.091 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.442 HD13 ' CE2' ' A' ' 27' ' ' TYR . 48.0 mt -127.91 123.29 60.5 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.198 0 CA-C-N 114.196 -1.365 . . . . 71.25 108.293 -172.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.9 p 53.04 31.7 11.6 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 125.11 1.364 . . . . 61.329999999999998 112.546 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.22 -1.13 87.58 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.051 -0.595 . . . . 71.340000000000003 112.236 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -106.82 136.94 45.78 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.89 -1.152 . . . . 72.450000000000003 107.89 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.76 123.2 38.07 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 119.832 -0.747 . . . . 74.420000000000002 110.956 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.466 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.5 m-85 -105.46 112.71 25.91 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 114.963 -1.017 . . . . 75.549999999999997 110.382 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.512 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.0 mtt85 -95.55 142.96 27.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.64 -0.874 . . . . 71.409999999999997 108.64 177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.631 HD21 ' SG ' ' A' ' 5' ' ' CYS . 61.3 mt -105.06 123.56 48.02 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 109.351 -0.611 . . . . 73.209999999999994 109.351 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.498 ' SG ' ' NE ' ' B' ' 106' ' ' ARG . 61.6 m -110.79 131.62 54.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.025 -1.842 . . . . 71.200000000000003 106.025 174.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 14.6 t -141.98 148.19 38.17 Favored 'General case' 0 N--CA 1.416 -2.156 0 C-N-CA 118.307 -1.357 . . . . 75.340000000000003 111.944 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.42 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 15.6 ptm180 . . . . . 0 N--CA 1.415 -2.186 0 CA-C-N 114.456 -1.247 . . . . 74.510000000000005 108.049 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 109.507 -0.553 . . . . 71.230000000000004 109.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -113.74 110.83 20.79 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.742 -1.577 . . . . 73.109999999999999 106.742 174.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' B' ' 117' ' ' SER . 11.2 m -128.0 167.15 17.1 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.975 -1.12 . . . . 71.129999999999995 107.975 -174.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -159.36 155.62 27.07 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 110.098 -0.334 . . . . 74.230000000000004 110.098 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.632 ' SG ' HD21 ' B' ' 129' ' ' LEU . 24.8 m -92.21 111.47 23.05 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.157 -0.683 . . . . 63.450000000000003 109.157 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.51 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.2 ptt180 -103.34 148.08 26.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.621 -0.263 . . . . 75.109999999999999 110.677 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 p -94.38 7.1 46.67 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.616 0.722 . . . . 72.340000000000003 111.117 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -168.0 -122.54 0.62 Allowed Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.6 -1.4 . . . . 62.219999999999999 109.6 -176.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HA ' HH11 ' A' ' 6' ' ' ARG . 24.4 ptt180 -98.15 173.31 7.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 117.186 0.493 . . . . 75.099999999999994 110.568 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -146.42 169.4 18.95 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.935 -1.876 . . . . 62.119999999999997 105.935 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.05 7.3 1.7 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.737 0.78 . . . . 53.509999999999998 112.16 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -133.79 37.87 3.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 105.955 -1.868 . . . . 74.319999999999993 105.955 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 13' ' ' ARG . 3.0 tmm_? -46.36 -44.01 16.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.804 2.042 . . . . 54.420000000000002 112.834 -173.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.51 -34.13 68.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.887 0.375 . . . . 50.100000000000001 111.207 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -80.01 79.12 6.59 Favored 'General case' 0 N--CA 1.419 -1.988 0 CA-C-O 121.899 0.857 . . . . 53.549999999999997 110.532 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.719 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -99.54 112.83 24.98 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 104.606 -2.368 . . . . 63.030000000000001 104.606 172.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' B' ' 101' ' ' ALA . 50.2 p -101.55 -21.07 14.82 Favored 'General case' 0 C--N 1.272 -2.761 0 CA-C-N 115.205 -0.907 . . . . 70.239999999999995 112.176 -172.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.84 163.99 37.43 Favored Glycine 0 N--CA 1.419 -2.451 0 N-CA-C 110.286 -1.126 . . . . 71.25 110.286 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.719 HG13 HD21 ' A' ' 16' ' ' LEU . 3.0 m -139.42 147.77 24.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-O 121.215 0.531 . . . . 64.230000000000004 112.011 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.0 p -147.99 111.58 5.01 Favored 'General case' 0 C--N 1.277 -2.553 0 CA-C-N 114.583 -1.19 . . . . 71.109999999999999 108.708 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HB2' HD22 ' A' ' 26' ' ' LEU . 40.5 tt0 -96.75 110.96 23.32 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 107.588 -1.264 . . . . 65.329999999999998 107.588 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.508 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.0 mt -122.74 133.85 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-N 114.737 -1.12 . . . . 72.310000000000002 108.134 -172.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 p 54.86 33.22 19.39 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 124.874 1.27 . . . . 74.040000000000006 111.867 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.41 86.82 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.861 -0.609 . . . . 61.310000000000002 113.332 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -112.08 137.29 50.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.302 -1.369 . . . . 64.140000000000001 107.302 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.1 116.92 29.5 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 119.141 -1.023 . . . . 70.540000000000006 108.423 -174.206 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 91.5 m-85 -97.16 104.83 16.88 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 115.364 -0.835 . . . . 72.129999999999995 109.45 175.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 56.8 mtt85 -91.01 151.04 21.2 Favored 'General case' 0 CA--C 1.48 -1.721 0 CA-C-N 115.281 -0.872 . . . . 72.329999999999998 108.945 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD21 ' SG ' ' B' ' 105' ' ' CYS . 53.2 mt -111.57 121.92 46.43 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 108.903 -0.777 . . . . 60.100000000000001 108.903 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.24 142.17 51.46 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 107.17 -1.419 . . . . 74.299999999999997 107.17 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.5 t -134.77 148.18 50.17 Favored 'General case' 0 N--CA 1.408 -2.538 0 C-N-CA 117.936 -1.506 . . . . 74.400000000000006 112.535 -170.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 . . . . . 0 C--N 1.302 -1.498 0 C-N-CA 124.99 1.316 . . . . 73.349999999999994 109.149 178.847 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 109.32 -0.622 . . . . 73.099999999999994 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 99.3 m -113.72 113.62 25.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 109.562 -0.533 . . . . 74.450000000000003 109.562 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -137.55 168.73 19.08 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.181 -1.044 . . . . 71.109999999999999 108.181 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.427 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 31.2 p90 -164.5 153.17 12.85 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.79 0.436 . . . . 62.049999999999997 110.222 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.571 ' SG ' HD21 ' A' ' 29' ' ' LEU . 32.2 m -88.61 106.11 18.1 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 123.668 0.605 . . . . 60.119999999999997 109.92 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.3 ptt180 -97.42 147.45 24.2 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 116.072 -0.513 . . . . 61.229999999999997 111.353 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.0 p -91.82 2.21 56.66 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.577 0.704 . . . . 55.100000000000001 111.391 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.502 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -170.98 -105.37 0.18 Allowed Glycine 0 N--CA 1.419 -2.449 0 N-CA-C 109.736 -1.346 . . . . 54.25 109.736 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -101.91 174.87 5.75 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.849 -0.426 . . . . 72.209999999999994 109.849 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.442 ' C ' ' H ' ' B' ' 112' ' ' THR . 24.1 p -146.54 169.64 18.53 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 107.897 -1.149 . . . . 53.210000000000001 107.897 175.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.86 15.69 0.14 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.616 0.722 . . . . 65.099999999999994 111.973 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.442 ' H ' ' C ' ' B' ' 110' ' ' CYS . 6.9 t -138.52 87.22 2.21 Favored 'General case' 0 N--CA 1.402 -2.868 0 CA-C-O 122.621 1.201 . . . . 42.450000000000003 108.183 173.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -75.16 175.61 8.09 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.188 -0.914 . . . . 75.109999999999999 109.821 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 73.46 -45.93 0.62 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.335 1.054 . . . . 71.450000000000003 111.438 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t -74.59 73.09 1.97 Allowed 'General case' 0 N--CA 1.433 -1.282 0 C-N-CA 123.447 0.699 . . . . 73.420000000000002 112.469 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.517 HD21 HG13 ' B' ' 119' ' ' VAL . 4.6 tt -101.59 112.73 25.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.307 -2.108 . . . . 53.530000000000001 105.307 169.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.435 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 26.4 p -107.0 -14.35 14.96 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-N 115.613 -0.721 . . . . 74.200000000000003 112.861 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.36 164.41 34.83 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 110.886 -0.885 . . . . 63.520000000000003 110.886 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.517 HG13 HD21 ' B' ' 116' ' ' LEU . 4.8 m -139.53 150.93 22.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.356 0.598 . . . . 72.230000000000004 111.545 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.3 p -150.46 121.21 7.54 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 114.731 -1.122 . . . . 71.510000000000005 109.747 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.532 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.3 OUTLIER -97.86 122.71 41.29 Favored 'General case' 0 N--CA 1.417 -2.102 0 N-CA-C 107.426 -1.324 . . . . 74.510000000000005 107.426 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.412 HD13 ' CE2' ' A' ' 27' ' ' TYR . 41.5 mt -129.02 121.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-N 114.823 -1.081 . . . . 74.519999999999996 109.503 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 69.1 p 48.49 32.15 3.22 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 126.407 1.883 . . . . 72.430000000000007 114.826 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 106.02 -5.9 39.73 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.734 -0.746 . . . . 33.32 113.244 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -116.33 138.69 51.12 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 117.435 0.617 . . . . 73.099999999999994 110.043 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.82 118.87 32.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.714 -0.847 . . . . 71.099999999999994 108.714 -177.369 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 22' ' ' ILE . 76.3 m-85 -100.36 121.5 41.6 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.419 -0.81 . . . . 75.329999999999998 110.775 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.6 mtt85 -100.19 152.7 19.97 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.002 -0.74 . . . . 74.230000000000004 109.002 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.632 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.2 mt -112.52 129.24 56.42 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 108.407 -0.96 . . . . 62.109999999999999 108.407 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.77 135.16 46.57 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 109.439 -0.578 . . . . 70.5 109.439 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 83.4 m -115.26 140.12 49.37 Favored 'General case' 0 N--CA 1.417 -2.098 0 CA-C-N 115.773 -0.649 . . . . 74.400000000000006 111.273 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 C--N 1.297 -1.705 0 C-N-CA 125.405 1.482 . . . . 73.450000000000003 110.225 -175.425 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 110.126 -0.324 . . . . 71.109999999999999 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.7 m -116.95 110.63 18.53 Favored 'General case' 0 N--CA 1.424 -1.735 0 N-CA-C 107.812 -1.181 . . . . 65.239999999999995 107.812 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 m -125.95 154.77 42.37 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 106.222 -1.77 . . . . 63.43 106.222 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -152.69 151.0 30.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 118.334 0.515 . . . . 72.409999999999997 110.98 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.6 m -87.36 106.31 17.86 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.066 -0.97 . . . . 75.049999999999997 109.176 -176.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.503 HH11 ' HA ' ' A' ' 9' ' ' ARG . 10.8 ptt180 -97.98 141.64 30.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.828 0.347 . . . . 70.329999999999998 111.068 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.0 p -88.86 6.28 39.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.929 -0.578 . . . . 60.210000000000001 111.675 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.76 -96.34 0.1 Allowed Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 110.192 -1.163 . . . . 31.140000000000001 110.192 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HA ' HH11 ' A' ' 6' ' ' ARG . 34.0 ptt180 -124.57 170.69 10.67 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.11 0.481 . . . . 72.049999999999997 111.119 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.75 169.34 17.79 Favored 'General case' 0 N--CA 1.417 -2.121 0 N-CA-C 104.348 -2.464 . . . . 73.239999999999995 104.348 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.68 61.82 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 119.171 0.896 . . . . 74.439999999999998 110.563 -173.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 12' ' ' THR . 8.0 t -113.82 89.31 3.05 Favored 'General case' 0 N--CA 1.406 -2.631 0 CA-C-O 122.23 1.014 . . . . 71.450000000000003 110.321 174.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 74.409999999999997 108.558 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -51.43 -36.92 45.99 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.613 1.565 . . . . 62.200000000000003 112.216 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.701 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 48.9 m -79.89 19.94 0.65 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.58 0.955 . . . . 75.420000000000002 113.58 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HB2' ' NH2' ' A' ' 6' ' ' ARG . 4.2 tt -76.83 115.44 16.61 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 105.442 -2.058 . . . . 62.439999999999998 105.442 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.2 p -122.56 -2.53 8.9 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 114.566 -1.197 . . . . 63.020000000000003 112.521 -171.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.63 162.43 31.72 Favored Glycine 0 N--CA 1.42 -2.398 0 N-CA-C 110.549 -1.02 . . . . 63.210000000000001 110.549 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.469 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.5 m -141.44 149.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.326 0.584 . . . . 61.539999999999999 111.363 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -146.1 121.79 10.5 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 114.838 -1.073 . . . . 63.520000000000003 109.546 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -97.41 122.45 40.48 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 107.819 -1.178 . . . . 74.25 107.819 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.423 HD13 ' CE2' ' B' ' 127' ' ' TYR . 27.1 mt -136.95 128.84 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.861 0 CA-C-N 114.517 -1.22 . . . . 74.219999999999999 108.448 -173.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.8 p 54.07 32.36 15.5 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.288 1.435 . . . . 74.040000000000006 113.335 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.51 10.45 76.9 Favored Glycine 0 C--O 1.24 0.478 0 C-N-CA 120.784 -0.722 . . . . 62.130000000000003 112.391 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -123.04 137.98 54.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.794 -0.817 . . . . 63.450000000000003 108.794 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.37 117.35 29.99 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.538 -0.912 . . . . 72.530000000000001 108.538 -178.477 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 84.6 m-85 -97.15 118.69 34.14 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.434 -0.803 . . . . 71.299999999999997 109.681 177.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 61.2 mtt85 -100.27 145.5 28.03 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.768 -0.651 . . . . 63.439999999999998 109.292 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.675 HD21 ' SG ' ' B' ' 105' ' ' CYS . 55.8 mt -108.47 115.59 30.38 Favored 'General case' 0 C--N 1.268 -2.949 0 N-CA-C 108.838 -0.801 . . . . 73.019999999999996 108.838 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 15' ' ' SER . 16.0 p -116.37 117.87 31.15 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 109.253 -0.647 . . . . 53.329999999999998 109.253 172.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.52 143.34 39.31 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 115.722 -0.672 . . . . 72.219999999999999 111.152 -172.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 . . . . . 0 C--O 1.256 1.425 0 CA-C-N 115.117 -0.947 . . . . 75.420000000000002 109.327 -177.848 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 120.75 0.31 . . . . 62.539999999999999 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' B' ' 132' ' ' ARG . 93.5 m -139.79 112.69 8.06 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.988 -0.745 . . . . 73.430000000000007 108.988 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 m -126.23 166.34 17.26 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 106.459 -1.682 . . . . 74.140000000000001 106.459 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -158.11 154.75 27.99 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 118.16 0.436 . . . . 74.239999999999995 110.95 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.675 ' SG ' HD21 ' A' ' 29' ' ' LEU . 29.7 m -91.29 102.11 14.82 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 123.859 0.724 . . . . 63.409999999999997 109.142 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.51 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.0 ptt180 -91.71 140.31 29.83 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.071 0.462 . . . . 62.210000000000001 111.045 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.4 p -89.06 22.44 2.76 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.699 -0.682 . . . . 74.120000000000005 111.07 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 175.84 -113.06 0.42 Allowed Glycine 0 N--CA 1.426 -2.028 0 N-CA-C 110.472 -1.051 . . . . 65.0 110.472 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.51 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.8 ptt180 -106.94 175.05 5.63 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.719 -0.474 . . . . 74.540000000000006 109.719 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 p -139.01 162.3 35.26 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.432 -1.321 . . . . 75.329999999999998 107.432 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.06 -19.54 61.81 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 113.044 0.757 . . . . 61.43 113.044 -171.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t -75.0 -34.06 61.92 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 109.549 -0.538 . . . . 62.299999999999997 109.549 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 58.19 177.29 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.92 0.888 . . . . 64.430000000000007 111.976 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 69.83 -61.27 0.45 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.083 0.953 . . . . 75.530000000000001 113.083 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 40.6 m -71.44 83.36 0.8 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 114.406 1.261 . . . . 60.399999999999999 114.406 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.588 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -101.19 116.27 32.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.674 -1.973 . . . . 62.409999999999997 105.674 170.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 9.8 p -104.19 -16.81 15.11 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 113.409 0.892 . . . . 73.219999999999999 113.409 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.64 164.12 34.22 Favored Glycine 0 N--CA 1.42 -2.378 0 N-CA-C 110.579 -1.008 . . . . 72.120000000000005 110.579 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.588 HG13 HD21 ' B' ' 116' ' ' LEU . 5.5 m -139.13 151.53 23.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.258 0.551 . . . . 72.219999999999999 111.694 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 p -148.65 116.7 6.4 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.746 -1.116 . . . . 71.430000000000007 109.45 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.564 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.08 121.13 38.62 Favored 'General case' 0 CA--C 1.474 -1.944 0 N-CA-C 107.602 -1.259 . . . . 72.540000000000006 107.602 179.041 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.524 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 25.8 mt -135.32 129.11 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 CA-C-N 114.665 -1.152 . . . . 74.430000000000007 108.285 -172.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 55.1 p 53.42 32.0 13.13 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 124.933 1.293 . . . . 74.340000000000003 113.425 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.71 0.15 75.91 Favored Glycine 0 CA--C 1.507 -0.461 0 C-N-CA 121.168 -0.539 . . . . 52.210000000000001 112.86 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.432 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.6 ttm180 -116.05 139.49 50.23 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 108.912 -0.773 . . . . 73.030000000000001 108.912 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.0 115.33 27.65 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 108.684 -0.858 . . . . 64.310000000000002 108.684 -177.183 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' B' ' 125' ' ' ARG . 90.8 m-85 -95.71 111.9 23.75 Favored 'General case' 0 C--N 1.278 -2.542 0 CA-C-N 115.808 -0.633 . . . . 64.040000000000006 109.837 177.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.42 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 62.5 mtt85 -95.88 151.86 19.02 Favored 'General case' 0 CA--C 1.474 -1.964 0 CA-C-N 115.77 -0.65 . . . . 71.510000000000005 109.813 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.564 HD21 ' SG ' ' A' ' 5' ' ' CYS . 47.6 mt -113.23 122.67 48.17 Favored 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 108.477 -0.934 . . . . 73.400000000000006 108.477 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 129.09 45.32 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 106.677 -1.601 . . . . 52.530000000000001 106.677 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 9.2 t -112.45 164.04 13.74 Favored 'General case' 0 C--N 1.277 -2.545 0 C-N-CA 119.357 -0.937 . . . . 40.119999999999997 110.148 -171.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' B' ' 102' ' ' THR . 15.7 ptm180 . . . . . 0 C--N 1.307 -1.272 0 CA-C-O 118.535 -0.745 . . . . 73.349999999999994 109.664 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 108.845 -0.798 . . . . 62.049999999999997 108.845 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 111.85 14.41 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 119.993 -0.683 . . . . 53.219999999999999 109.439 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 m -122.72 166.97 14.07 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.773 -1.566 . . . . 73.420000000000002 106.773 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -155.42 144.67 20.94 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.538 0.209 . . . . 75.450000000000003 110.964 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' B' ' 129' ' ' LEU . 18.3 m -94.38 108.05 19.98 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.911 -0.774 . . . . 74.109999999999999 108.911 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -125.9 159.9 31.34 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.663 -0.815 . . . . 75.120000000000005 110.888 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.461 HG21 ' NE ' ' A' ' 25' ' ' ARG . 24.6 p -98.68 8.2 45.21 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 112.534 0.568 . . . . 64.319999999999993 112.534 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.76 -157.97 7.38 Favored Glycine 0 N--CA 1.419 -2.448 0 C-N-CA 120.202 -0.999 . . . . 60.009999999999998 111.43 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -97.46 164.25 12.52 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 109.684 -0.487 . . . . 65.010000000000005 109.684 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.22 148.1 47.56 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 120.61 -0.436 . . . . 73.439999999999998 110.15 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 81.37 1.03 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.066 0.936 . . . . 60.140000000000001 111.945 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 t 173.72 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.373 -1.74 . . . . 74.239999999999995 107.046 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 15' ' ' SER . 30.4 mmm180 58.0 -177.39 0.07 Allowed 'General case' 0 C--N 1.364 1.201 0 CA-C-N 115.282 -0.872 . . . . 74.230000000000004 110.857 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 69.82 -26.2 0.15 Allowed 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 124.095 0.958 . . . . 74.25 112.6 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 35.3 t -79.91 6.22 11.79 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 124.501 1.121 . . . . 42.009999999999998 113.087 -174.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 19' ' ' VAL . 3.5 tt -77.74 114.96 17.11 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.053 -1.832 . . . . 64.209999999999994 106.053 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 p -111.7 -19.83 12.33 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-N 114.108 -1.405 . . . . 51.549999999999997 111.823 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.13 164.37 37.41 Favored Glycine 0 N--CA 1.421 -2.308 0 N-CA-C 110.192 -1.163 . . . . 44.219999999999999 110.192 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 16' ' ' LEU . 18.9 m -136.31 157.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.116 0.484 . . . . 71.140000000000001 110.884 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.4 p -147.46 122.71 10.24 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 114.993 -1.003 . . . . 61.539999999999999 109.432 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.86 121.62 39.99 Favored 'General case' 0 N--CA 1.415 -2.176 0 N-CA-C 108.03 -1.1 . . . . 52.100000000000001 108.03 177.348 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -134.36 128.89 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.057 0 CA-C-N 114.238 -1.346 . . . . 75.340000000000003 107.765 -175.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p 55.93 31.46 17.88 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.308 1.443 . . . . 74.340000000000003 112.727 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.09 11.03 84.86 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.163 -0.542 . . . . 55.450000000000003 112.134 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' NE ' HG21 ' A' ' 7' ' ' THR . 40.7 ttt180 -120.48 135.51 55.04 Favored 'General case' 0 N--CA 1.421 -1.898 0 N-CA-C 106.711 -1.588 . . . . 64.530000000000001 106.711 -177.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.12 123.13 37.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.88 -0.728 . . . . 72.019999999999996 109.6 -174.15 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CE2' HD13 ' B' ' 122' ' ' ILE . 87.3 m-85 -103.98 117.03 33.34 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 115.428 -0.805 . . . . 65.150000000000006 110.294 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -96.14 142.94 27.72 Favored 'General case' 0 CA--C 1.48 -1.744 0 N-CA-C 108.847 -0.797 . . . . 74.340000000000003 108.847 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.686 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.3 mt -108.69 108.08 18.8 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-N 115.736 -0.665 . . . . 55.399999999999999 109.462 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 15' ' ' SER 0.27 27.8 p -114.9 142.35 46.71 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.662 -0.866 . . . . 72.239999999999995 108.662 172.081 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -138.91 164.58 29.31 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.768 -0.773 . . . . 71.25 112.247 -164.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.962 -0.755 . . . . 65.219999999999999 108.962 177.896 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 120.706 0.289 . . . . 65.310000000000002 110.649 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.56 ' HB ' ' HG2' ' B' ' 132' ' ' ARG . 61.5 m -131.27 111.82 12.23 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.887 -1.153 . . . . 50.130000000000003 107.887 171.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.0 m -120.11 159.87 23.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.162 -1.422 . . . . 64.120000000000005 107.162 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.72 148.47 22.69 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.881 0.372 . . . . 73.349999999999994 110.853 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.686 ' SG ' HD21 ' A' ' 29' ' ' LEU . 37.4 m -85.76 127.5 34.55 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.156 -0.929 . . . . 72.450000000000003 110.234 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.53 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -136.77 142.85 43.0 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 121.09 0.471 . . . . 75.549999999999997 112.19 178.006 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 72.4 p -76.57 -8.61 57.56 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 113.873 1.064 . . . . 73.129999999999995 113.873 -171.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.405 ' HA2' HH11 ' B' ' 128' ' ' ARG . . . -160.68 -65.73 0.02 OUTLIER Glycine 0 CA--C 1.469 -2.841 0 C-N-CA 119.369 -1.396 . . . . 72.450000000000003 111.58 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -135.24 178.16 7.25 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 120.314 -0.554 . . . . 72.099999999999994 109.789 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.53 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.5 p -145.85 136.63 24.37 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.814 -1.18 . . . . 55.340000000000003 107.814 172.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.451 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -73.2 86.0 1.4 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.378 0.609 . . . . 74.329999999999998 110.261 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 11.1 t 166.32 -34.21 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 125.806 1.642 . . . . 72.319999999999993 106.888 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 52.31 -98.95 0.08 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-N 114.977 -1.01 . . . . 72.109999999999999 113.681 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' ' 112' ' ' THR . 44.5 mt-10 61.44 -64.89 0.07 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.125 1.37 . . . . 71.299999999999997 114.6 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 34.0 t -148.06 116.99 6.75 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 112.34 0.496 . . . . 51.219999999999999 112.34 -175.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.492 HD21 HG13 ' B' ' 119' ' ' VAL . 4.3 tt -84.39 111.4 19.41 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 103.63 -2.73 . . . . 72.230000000000004 103.63 167.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.7 p -103.73 -11.0 17.89 Favored 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 115.029 -0.987 . . . . 64.319999999999993 113.326 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.58 164.49 34.81 Favored Glycine 0 CA--C 1.476 -2.391 0 C-N-CA 119.719 -1.229 . . . . 64.200000000000003 111.059 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.492 HG13 HD21 ' B' ' 116' ' ' LEU . 15.4 m -141.12 143.46 28.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 121.476 0.655 . . . . 62.399999999999999 110.891 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 4.0 p -142.53 122.24 13.42 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 114.814 -1.084 . . . . 53.329999999999998 109.555 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.65 123.67 41.65 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.523 -1.288 . . . . 74.219999999999999 107.523 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' A' ' 27' ' ' TYR . 40.5 mt -135.95 128.97 47.11 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.158 0 N-CA-C 107.751 -1.203 . . . . 75.5 107.751 -173.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 71.7 p 52.35 32.04 10.46 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.391 1.476 . . . . 60.229999999999997 113.383 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 16.82 73.18 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 120.79 -0.719 . . . . 71.040000000000006 112.019 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.47 ' CZ ' HG21 ' B' ' 107' ' ' THR . 63.3 ttt180 -128.29 139.65 52.31 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 107.133 -1.432 . . . . 75.040000000000006 107.133 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.1 OUTLIER -94.11 130.76 40.17 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 119.647 -0.821 . . . . 65.239999999999995 109.339 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.447 ' HB2' ' SG ' ' B' ' 120' ' ' CYS . 97.0 m-85 -114.65 108.83 17.33 Favored 'General case' 0 C--N 1.277 -2.547 0 CA-C-N 115.173 -0.921 . . . . 72.25 109.113 176.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.444 ' HG2' HG12 ' B' ' 119' ' ' VAL . 56.7 mtt85 -92.83 151.86 19.75 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.419 -0.81 . . . . 73.200000000000003 109.33 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.4 mt -112.92 136.73 52.25 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 108.769 -0.826 . . . . 74.109999999999999 108.769 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' B' ' 115' ' ' SER . 6.3 p -133.12 140.07 47.43 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.303 -1.369 . . . . 75.450000000000003 107.303 171.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.8 t -142.59 151.83 41.92 Favored 'General case' 0 N--CA 1.421 -1.891 0 C-N-CA 118.366 -1.334 . . . . 73.510000000000005 111.575 -169.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.56 ' HG2' ' HB ' ' B' ' 102' ' ' THR . 39.0 ptt180 . . . . . 0 N--CA 1.432 -1.331 0 CA-C-N 115.469 -0.787 . . . . 61.43 108.964 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 110.235 -0.283 . . . . 73.209999999999994 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.0 m -122.9 112.27 17.65 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.965 -1.124 . . . . 54.439999999999998 107.965 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.1 m -122.32 165.59 16.02 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 107.593 -1.262 . . . . 32.439999999999998 107.593 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -160.76 152.36 19.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.074 -0.713 . . . . 75.200000000000003 109.074 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.637 ' SG ' HD21 ' B' ' 129' ' ' LEU . 34.3 m -89.14 109.09 20.0 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 123.789 0.681 . . . . 52.509999999999998 109.592 -176.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.2 ptt180 -94.53 138.61 32.22 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 121.56 0.695 . . . . 74.120000000000005 110.623 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 m -87.8 10.72 17.54 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.458 -1.246 . . . . 71.129999999999995 110.036 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . 178.78 -104.92 0.19 Allowed Glycine 0 N--CA 1.421 -2.329 0 N-CA-C 109.473 -1.451 . . . . 71.030000000000001 109.473 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -107.96 178.46 4.51 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.23 -0.656 . . . . 74.439999999999998 109.23 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' THR . 11.7 p -142.72 166.92 23.33 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.391 -0.966 . . . . 74.25 108.391 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.37 31.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.925 0.89 . . . . 70.530000000000001 112.059 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.5 t -169.65 36.64 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.69 -1.596 . . . . 54.5 106.69 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.95 85.14 1.26 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.155 -0.929 . . . . 71.299999999999997 110.341 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.02 18.07 0.37 Allowed 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.243 -1.762 . . . . 64.230000000000004 106.243 175.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -145.15 90.64 2.06 Favored 'General case' 0 N--CA 1.418 -2.071 0 CA-C-N 114.813 -1.085 . . . . 74.030000000000001 110.19 -176.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 19' ' ' VAL . 4.7 tt -102.19 110.75 22.79 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 105.218 -2.141 . . . . 74.450000000000003 105.218 170.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -105.72 -13.77 15.45 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.937 -0.574 . . . . 72.140000000000001 112.229 -174.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.89 164.15 34.1 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.615 -0.994 . . . . 63.219999999999999 110.615 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 16' ' ' LEU . 12.3 m -136.52 156.6 35.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 CA-C-O 121.49 0.662 . . . . 73.340000000000003 111.228 175.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.39 123.02 8.57 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 114.586 -1.188 . . . . 72.519999999999996 110.232 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.16 123.44 40.92 Favored 'General case' 0 CA--C 1.478 -1.818 0 N-CA-C 107.815 -1.18 . . . . 72.409999999999997 107.815 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' B' ' 127' ' ' TYR . 34.6 mt -134.04 124.94 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.15 0 CA-C-N 114.718 -1.128 . . . . 54.219999999999999 108.683 -173.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.0 p 52.56 31.74 10.49 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.236 1.414 . . . . 72.299999999999997 112.881 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.93 2.71 86.08 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 116.282 -0.417 . . . . 74.420000000000002 112.544 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -111.9 133.65 53.96 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.02 -1.474 . . . . 65.430000000000007 107.02 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.439 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.09 125.68 38.87 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.577 -0.849 . . . . 63.399999999999999 110.458 -174.285 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CE2' HD13 ' B' ' 122' ' ' ILE . 71.4 m-85 -107.38 130.09 54.84 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.127 -0.942 . . . . 70.329999999999998 110.614 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.475 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 70.5 mtt85 -109.41 155.47 21.22 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 109.124 -0.695 . . . . 74.010000000000005 109.124 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.694 HD21 ' SG ' ' B' ' 105' ' ' CYS . 52.3 mt -113.53 119.15 36.53 Favored 'General case' 0 C--N 1.267 -3.019 0 N-CA-C 108.871 -0.788 . . . . 72.540000000000006 108.871 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.5 p -119.39 120.05 35.75 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 107.243 -1.391 . . . . 73.400000000000006 107.243 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 t -112.57 148.41 34.6 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.162 -1.015 . . . . 74.239999999999995 110.82 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--O 1.254 1.303 0 CA-C-N 116.086 -0.506 . . . . 75.140000000000001 109.846 -176.685 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.404 0 CA-C-O 120.736 0.303 . . . . 64.200000000000003 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 19.6 m -127.23 112.11 14.73 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.762 -0.829 . . . . 74.230000000000004 108.762 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 32.0 m -126.82 168.81 13.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.222 -1.399 . . . . 53.520000000000003 107.222 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -160.17 148.21 16.71 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 120.799 0.333 . . . . 74.200000000000003 111.867 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.694 ' SG ' HD21 ' A' ' 29' ' ' LEU . 19.8 m -89.6 112.48 23.71 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.427 -0.806 . . . . 71.340000000000003 109.91 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' B' ' 130' ' ' CYS . 1.1 ppt_? -122.99 142.08 51.24 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 120.86 0.362 . . . . 62.219999999999999 111.646 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 48.5 p -89.45 2.67 54.21 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 121.338 0.589 . . . . 65.209999999999994 112.421 -173.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.38 -119.58 1.13 Allowed Glycine 0 N--CA 1.405 -3.414 0 N-CA-C 109.168 -1.573 . . . . 73.319999999999993 109.168 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -105.39 178.61 4.51 Favored 'General case' 0 C--N 1.277 -2.566 0 N-CA-C 109.147 -0.686 . . . . 73.430000000000007 109.147 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.55 168.55 18.45 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.519 -0.919 . . . . 71.219999999999999 108.519 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.25 74.48 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.053 -0.721 . . . . 72.109999999999999 109.053 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.9 t -75.82 108.67 8.84 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 104.895 -2.261 . . . . 74.439999999999998 104.895 165.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.572 17.8 mmm180 -72.12 82.31 0.98 Allowed 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 120.153 3.39 . . . . 74.040000000000006 120.153 -168.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.519 ' HG3' ' HB2' ' B' ' 116' ' ' LEU 0.33 37.2 tt0 63.01 88.09 0.1 Allowed 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 117.844 2.535 . . . . 73.040000000000006 117.844 168.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t -112.85 76.37 0.97 Allowed 'General case' 0 N--CA 1.399 -2.996 0 N-CA-C 102.65 -3.093 . . . . 73.430000000000007 102.65 163.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.614 HD21 HG13 ' B' ' 119' ' ' VAL . 4.4 tt -80.8 114.47 19.71 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 107.397 -1.334 . . . . 61.200000000000003 107.397 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.1 p -110.56 -13.97 14.15 Favored 'General case' 0 C--N 1.264 -3.114 0 CA-C-N 114.167 -1.379 . . . . 62.200000000000003 111.71 -173.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.43 163.77 35.95 Favored Glycine 0 N--CA 1.415 -2.74 0 N-CA-C 111.14 -0.784 . . . . 74.340000000000003 111.14 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.614 HG13 HD21 ' B' ' 116' ' ' LEU . 3.4 m -140.88 151.5 20.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 123.769 0.828 . . . . 74.209999999999994 110.856 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.34 116.02 5.91 Favored 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 114.876 -1.056 . . . . 51.409999999999997 108.511 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.446 ' HB2' HD22 ' B' ' 126' ' ' LEU . 32.8 tt0 -97.19 107.75 20.34 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 106.87 -1.53 . . . . 72.099999999999994 106.87 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.424 HD13 ' CE2' ' A' ' 27' ' ' TYR . 47.2 mt -122.74 135.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 114.6 -1.182 . . . . 75.230000000000004 108.258 -172.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 66.1 p 55.83 32.56 19.84 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.283 1.033 . . . . 74.120000000000005 111.868 -178.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.08 19.07 76.96 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.538 -0.756 . . . . 73.439999999999998 112.594 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.473 ' NE ' HG21 ' B' ' 107' ' ' THR . 56.3 ttt180 -124.08 136.94 54.59 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 105.963 -1.866 . . . . 74.310000000000002 105.963 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.54 120.2 33.53 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.813 -1.155 . . . . 73.040000000000006 108.988 -174.327 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 22' ' ' ILE . 88.1 m-85 -101.9 110.16 22.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.84 -0.618 . . . . 61.329999999999998 110.412 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.409 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 62.2 mtt85 -94.74 143.25 26.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 108.997 -0.742 . . . . 74.040000000000006 108.997 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.637 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.7 mt -105.97 124.49 49.66 Favored 'General case' 0 C--N 1.267 -3.015 0 CA-C-N 115.856 -0.611 . . . . 70.420000000000002 109.618 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.483 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 11.7 p -122.46 142.11 50.91 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 107.513 -1.291 . . . . 54.240000000000002 107.513 170.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.7 t -136.82 162.26 33.7 Favored 'General case' 0 N--CA 1.416 -2.158 0 C-N-CA 118.958 -1.097 . . . . 64.420000000000002 110.034 -172.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.432 -1.329 0 CA-C-N 116.256 -0.429 . . . . 74.049999999999997 110.542 -179.158 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.091 -0.707 . . . . 74.310000000000002 109.091 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.3 m -125.82 112.07 15.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.765 -1.198 . . . . 65.310000000000002 107.765 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.8 m -128.7 165.42 20.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 74.340000000000003 107.723 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -156.37 150.92 25.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.459 0.171 . . . . 74.239999999999995 111.402 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.4 m -95.91 121.14 37.33 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 123.695 0.622 . . . . 61.350000000000001 109.986 -175.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 ptp180 -142.73 155.9 44.94 Favored 'General case' 0 C--O 1.202 -1.41 0 N-CA-C 110.21 -0.293 . . . . 73.040000000000006 110.21 175.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.403 HG21 ' NE ' ' A' ' 25' ' ' ARG . 23.7 p -92.03 9.33 33.7 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 112.774 0.657 . . . . 72.400000000000006 112.774 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.24 -146.95 5.01 Favored Glycine 0 N--CA 1.427 -1.964 0 C-N-CA 120.233 -0.984 . . . . 64.310000000000002 112.629 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -98.07 173.36 7.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 123.363 0.665 . . . . 73.540000000000006 109.605 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 9.5 p -143.83 159.94 41.64 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 120.539 -0.464 . . . . 65.450000000000003 110.69 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 86.28 1.61 Allowed 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 121.746 0.784 . . . . 72.340000000000003 111.133 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t 173.15 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 125.875 1.67 . . . . 74.510000000000005 106.965 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 57.15 132.01 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 0 N-CA-C 115.883 1.809 . . . . 71.310000000000002 115.883 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 69.69 7.58 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.707 -1.133 . . . . 71.230000000000004 113.739 175.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -93.46 26.21 3.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 106.851 -1.537 . . . . 64.150000000000006 106.851 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -78.35 124.21 27.85 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 104.81 -2.293 . . . . 74.040000000000006 104.81 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -118.86 -8.49 10.29 Favored 'General case' 0 C--N 1.271 -2.832 0 CA-C-N 115.359 -0.837 . . . . 74.230000000000004 112.631 -172.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.3 34.67 Favored Glycine 0 N--CA 1.419 -2.465 0 N-CA-C 110.82 -0.912 . . . . 54.229999999999997 110.82 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.496 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.4 m -136.45 154.82 33.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-O 120.995 0.426 . . . . 63.409999999999997 110.666 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.2 p -148.41 115.93 6.26 Favored 'General case' 0 C--N 1.28 -2.448 0 CA-C-N 115.248 -0.887 . . . . 31.25 110.182 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.614 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.06 123.3 40.76 Favored 'General case' 0 N--CA 1.402 -2.873 0 N-CA-C 107.738 -1.208 . . . . 70.019999999999996 107.738 179.589 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.471 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -129.84 123.45 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 114.259 -1.337 . . . . 51.149999999999999 108.714 -171.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.9 p 50.86 31.99 6.74 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 125.222 1.409 . . . . 51.009999999999998 113.467 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.2 -0.56 64.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.117 -0.564 . . . . 74.400000000000006 113.191 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' NE ' HG21 ' A' ' 7' ' ' THR . 41.8 ttt180 -113.12 134.55 54.5 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.97 -1.122 . . . . 72.140000000000001 107.97 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.95 118.53 31.6 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.126 -0.694 . . . . 70.019999999999996 109.126 -174.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 78.4 m-85 -101.26 127.82 47.69 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 123.258 0.623 . . . . 72.420000000000002 110.619 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -102.02 143.93 31.25 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 123.455 0.702 . . . . 74.340000000000003 109.904 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.725 HD21 ' SG ' ' B' ' 105' ' ' CYS . 58.1 mt -107.83 108.03 19.03 Favored 'General case' 0 N--CA 1.396 -3.143 0 N-CA-C 107.495 -1.298 . . . . 75.129999999999995 107.495 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -116.03 127.88 55.26 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 107.101 -1.444 . . . . 63.310000000000002 107.101 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -116.12 158.09 23.76 Favored 'General case' 0 C--N 1.281 -2.375 0 C-N-CA 119.899 -0.72 . . . . 40.399999999999999 110.164 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.259 1.588 0 N-CA-C 109.777 -0.453 . . . . 62.310000000000002 109.777 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 109.74 -0.467 . . . . 71.219999999999999 109.74 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' B' ' 132' ' ' ARG . 95.5 m -137.91 112.76 9.01 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.981 -0.748 . . . . 70.200000000000003 108.981 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.7 m -120.53 163.59 17.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.668 -1.604 . . . . 52.140000000000001 106.668 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -153.58 146.3 24.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 120.788 0.328 . . . . 54.439999999999998 111.703 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.725 ' SG ' HD21 ' A' ' 29' ' ' LEU . 27.8 m -88.99 102.76 15.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.33 -0.85 . . . . 64.519999999999996 110.091 -175.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.56 ' NH1' ' HA ' ' B' ' 109' ' ' ARG . 3.9 ppt_? -113.05 137.16 51.84 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 121.814 0.816 . . . . 73.349999999999994 112.741 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 36.5 p -88.64 -0.63 57.46 Favored 'General case' 0 C--N 1.267 -3.003 0 CA-C-N 114.883 -1.053 . . . . 73.040000000000006 113.782 -171.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.15 -88.46 0.13 Allowed Glycine 0 CA--C 1.47 -2.738 0 N-CA-C 109.796 -1.321 . . . . 35.399999999999999 109.796 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.56 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 28.3 ptt180 -136.56 178.41 7.09 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.235 -0.654 . . . . 75.209999999999994 109.235 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.485 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 6.2 p -142.55 167.82 21.19 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 107.806 -1.183 . . . . 72.219999999999999 107.806 173.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.32 -7.82 49.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.404 0.621 . . . . 64.200000000000003 110.63 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.1 t -107.61 79.19 1.26 Allowed 'General case' 0 N--CA 1.409 -2.49 0 CA-C-O 122.88 1.324 . . . . 44.520000000000003 108.173 171.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -62.91 144.58 56.59 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.823 -1.081 . . . . 74.310000000000002 112.059 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 67.72 6.1 4.84 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 114.218 1.192 . . . . 71.0 114.218 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 20.2 t -92.66 32.99 1.16 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 107.609 -1.256 . . . . 60.350000000000001 107.609 175.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.461 HD21 HG13 ' B' ' 119' ' ' VAL . 3.6 tt -77.93 121.85 24.71 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 105.63 -1.989 . . . . 65.329999999999998 105.63 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.0 p -118.87 -5.11 10.62 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-N 114.913 -1.04 . . . . 75.409999999999997 112.572 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.09 164.09 33.89 Favored Glycine 0 N--CA 1.43 -1.704 0 N-CA-C 110.939 -0.864 . . . . 70.25 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.461 HG13 HD21 ' B' ' 116' ' ' LEU . 5.3 m -140.57 151.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-O 121.199 0.523 . . . . 75.319999999999993 111.292 176.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.4 p -153.07 117.05 4.81 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.603 -1.181 . . . . 74.519999999999996 109.252 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.511 ' HB2' HD22 ' B' ' 126' ' ' LEU . 41.5 tt0 -96.51 112.31 24.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.077 -1.453 . . . . 62.32 107.077 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.433 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 36.2 mt -127.35 135.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 N-CA-C 107.867 -1.161 . . . . 73.019999999999996 107.867 -173.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 48.1 p 53.98 32.41 15.36 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.384 1.074 . . . . 72.230000000000004 112.455 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.86 -3.79 78.03 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-N 115.835 -0.621 . . . . 62.329999999999998 113.41 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.632 ' NE ' HG21 ' B' ' 107' ' ' THR . 61.8 ttt180 -106.09 138.15 42.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.43 -1.322 . . . . 71.340000000000003 107.43 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.89 117.86 30.67 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.629 -0.878 . . . . 74.519999999999996 108.629 -175.083 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.471 ' CE2' HD13 ' A' ' 22' ' ' ILE . 81.1 m-85 -98.99 106.58 18.85 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.361 0.601 . . . . 74.540000000000006 110.532 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.525 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 66.0 mtt85 -91.95 139.55 30.54 Favored 'General case' 0 CA--C 1.478 -1.801 0 N-CA-C 108.786 -0.82 . . . . 74.409999999999997 108.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.668 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.1 mt -104.29 122.38 45.29 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 108.346 -0.983 . . . . 64.530000000000001 108.346 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.516 ' HB3' HH21 ' B' ' 106' ' ' ARG . 21.1 p -126.68 143.35 51.26 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.56 -1.274 . . . . 75.450000000000003 107.56 171.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.2 t -136.83 153.27 50.84 Favored 'General case' 0 N--CA 1.406 -2.638 0 C-N-CA 118.691 -1.204 . . . . 54.340000000000003 111.511 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 102' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.933 0 CA-C-N 115.484 -0.78 . . . . 62.119999999999997 110.29 175.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 109.316 -0.624 . . . . 65.349999999999994 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -130.06 112.16 13.19 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.222 -0.658 . . . . 72.439999999999998 109.222 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -122.0 168.19 12.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.792 -1.188 . . . . 61.409999999999997 107.792 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -159.47 134.19 7.93 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.717 0.294 . . . . 74.329999999999998 111.189 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.624 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.3 m -83.42 120.38 25.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.911 -0.774 . . . . 62.43 108.911 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -138.36 160.79 38.59 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.565 -0.854 . . . . 73.420000000000002 111.276 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.51 HG21 ' NE ' ' A' ' 25' ' ' ARG . 21.1 p -92.84 5.12 52.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 113.164 0.801 . . . . 63.130000000000003 113.164 -174.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.33 -148.95 4.86 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.908 -1.139 . . . . 62.409999999999997 111.435 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -97.77 161.03 13.95 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 120.787 0.327 . . . . 74.040000000000006 110.365 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 p -125.6 168.6 13.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.903 -1.147 . . . . 73.5 107.903 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.3 65.13 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 118.226 0.466 . . . . 71.200000000000003 110.467 -172.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -80.96 88.46 5.91 Favored 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.101 -1.814 . . . . 71.239999999999995 106.101 167.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -80.0 154.43 28.21 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.372 -0.83 . . . . 75.439999999999998 109.044 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 69.69 12.44 8.06 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 122.77 1.271 . . . . 72.209999999999994 110.299 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -90.89 12.65 18.8 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.819 -1.082 . . . . 74.540000000000006 108.183 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 19' ' ' VAL . 4.0 tt -77.2 112.36 13.81 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 105.598 -2.001 . . . . 72.420000000000002 105.598 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -113.72 -10.55 13.04 Favored 'General case' 0 C--N 1.27 -2.865 0 CA-C-N 113.984 -1.462 . . . . 75.120000000000005 111.19 -172.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.19 164.03 34.37 Favored Glycine 0 N--CA 1.408 -3.173 0 N-CA-C 109.816 -1.313 . . . . 64.120000000000005 109.816 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.544 HG13 HD21 ' A' ' 16' ' ' LEU . 27.2 m -139.92 159.75 26.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 121.166 0.508 . . . . 73.200000000000003 109.912 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 p -147.35 126.04 12.59 Favored 'General case' 0 C--N 1.27 -2.87 0 CA-C-N 115.176 -0.92 . . . . 53.340000000000003 109.31 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.9 120.68 38.73 Favored 'General case' 0 N--CA 1.405 -2.694 0 N-CA-C 107.729 -1.211 . . . . 65.109999999999999 107.729 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' B' ' 127' ' ' TYR . 50.2 mt -133.97 126.59 50.55 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 114.426 -1.261 . . . . 60.439999999999998 108.287 -173.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 p 55.96 31.7 18.42 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.294 1.438 . . . . 74.200000000000003 112.26 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.06 20.47 79.32 Favored Glycine 0 CA--C 1.504 -0.621 0 N-CA-C 111.856 -0.498 . . . . 74.219999999999999 111.856 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' NE ' HG21 ' A' ' 7' ' ' THR . 66.5 ttt180 -127.56 138.8 52.99 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.693 -1.595 . . . . 72.400000000000006 106.693 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -93.91 129.24 40.42 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.599 -0.841 . . . . 71.239999999999995 111.463 -174.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 83.2 m-85 -111.32 117.13 32.29 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 114.686 -1.143 . . . . 70.140000000000001 109.719 176.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -97.98 144.45 27.49 Favored 'General case' 0 CA--C 1.471 -2.061 0 N-CA-C 108.959 -0.756 . . . . 74.219999999999999 108.959 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.695 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.7 mt -108.55 108.21 19.02 Favored 'General case' 0 N--CA 1.403 -2.824 0 CA-C-N 115.546 -0.752 . . . . 75.430000000000007 109.302 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' SER . 27.1 p -112.27 138.51 48.87 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.195 -1.039 . . . . 65.329999999999998 108.195 172.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 t -143.63 156.31 44.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 119.713 -0.795 . . . . 72.109999999999999 111.417 -167.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.255 1.351 0 CA-C-N 115.672 -0.695 . . . . 55.329999999999998 109.707 -178.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.124 -0.324 . . . . 74.310000000000002 110.124 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 87.0 m -137.36 112.06 8.81 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.778 -0.823 . . . . 74.120000000000005 108.778 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 31.7 m -124.04 164.84 18.57 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.774 -1.195 . . . . 70.099999999999994 107.774 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -156.52 143.66 18.9 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.628 0.251 . . . . 73.530000000000001 110.926 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.695 ' SG ' HD21 ' A' ' 29' ' ' LEU . 49.1 m -79.77 113.16 17.71 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.502 -0.772 . . . . 41.329999999999998 109.138 -177.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.822 ' HD3' ' SG ' ' B' ' 130' ' ' CYS . 13.2 mtm180 -93.75 151.54 19.55 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 107.935 -1.135 . . . . 74.340000000000003 107.935 -178.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 40.8 p -103.75 13.71 32.49 Favored 'General case' 0 C--N 1.269 -2.927 0 CA-C-O 122.485 1.136 . . . . 74.0 109.083 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.502 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -179.06 -102.93 0.16 Allowed Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 113.884 -1.507 . . . . 72.329999999999998 109.386 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -118.8 167.4 11.73 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.26 0.624 . . . . 75.319999999999993 110.553 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.536 ' O ' ' HD3' ' B' ' 113' ' ' ARG . 26.3 p -133.43 163.11 30.09 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 108.485 -0.931 . . . . 75.129999999999995 108.485 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.441 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -73.32 78.92 1.34 Allowed 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.39 0.515 . . . . 64.540000000000006 112.39 -176.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 9.0 t 171.7 -43.39 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.282 1.033 . . . . 71.040000000000006 109.872 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' B' ' 110' ' ' CYS . 0.1 OUTLIER 56.22 -172.99 0.07 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.239 0.615 . . . . 74.420000000000002 112.043 -175.605 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 70.16 -55.7 0.6 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.871 1.268 . . . . 73.540000000000006 111.944 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.3 t -77.68 78.22 4.19 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-O 121.565 0.698 . . . . 45.229999999999997 110.974 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.631 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -101.04 115.12 29.73 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 103.688 -2.708 . . . . 70.510000000000005 103.688 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.0 p -111.34 -4.82 14.78 Favored 'General case' 0 C--N 1.274 -2.712 0 CA-C-N 115.754 -0.657 . . . . 75.150000000000006 112.583 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 162.84 32.17 Favored Glycine 0 N--CA 1.42 -2.433 0 C-N-CA 120.608 -0.806 . . . . 71.209999999999994 111.367 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.631 HG13 HD21 ' B' ' 116' ' ' LEU . 3.1 m -143.56 143.54 24.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 123.508 0.723 . . . . 73.209999999999994 111.132 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.2 p -146.21 116.25 7.37 Favored 'General case' 0 C--N 1.273 -2.722 0 CA-C-N 114.823 -1.081 . . . . 73.010000000000005 109.621 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.552 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -97.61 121.78 39.92 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 108.075 -1.083 . . . . 72.219999999999999 108.075 177.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.522 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 20.2 mt -135.25 130.73 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.94 0 CA-C-N 114.313 -1.312 . . . . 62.340000000000003 108.148 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p 54.78 31.36 15.38 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 125.845 1.658 . . . . 62.229999999999997 112.567 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.66 14.03 78.79 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 120.971 -0.633 . . . . 74.200000000000003 112.768 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.454 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 65.6 ttt180 -122.99 136.73 54.97 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 107.212 -1.403 . . . . 73.430000000000007 107.212 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.99 118.37 31.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 119.551 -0.86 . . . . 63.439999999999998 109.436 -175.516 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' B' ' 106' ' ' ARG . 95.6 m-85 -100.71 111.78 24.07 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.318 -0.856 . . . . 72.109999999999999 109.505 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 62.8 mtt85 -94.8 152.83 18.09 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 116.063 -0.517 . . . . 73.0 109.844 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.624 HD21 ' SG ' ' A' ' 5' ' ' CYS . 55.2 mt -115.65 124.29 50.52 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 108.994 -0.743 . . . . 62.409999999999997 108.994 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.822 ' SG ' ' HD3' ' B' ' 106' ' ' ARG . 29.9 p -124.46 142.39 51.36 Favored 'General case' 0 CA--C 1.474 -1.951 0 N-CA-C 105.152 -2.166 . . . . 62.229999999999997 105.152 170.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 34.3 t -142.31 155.86 45.22 Favored 'General case' 0 N--CA 1.411 -2.421 0 C-N-CA 118.034 -1.466 . . . . 60.240000000000002 111.843 -171.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 N--CA 1.413 -2.3 0 N-CA-C 107.941 -1.133 . . . . 71.540000000000006 107.941 176.216 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 110.173 -0.306 . . . . 74.230000000000004 110.173 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 m -119.1 112.62 19.77 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 107.823 -1.177 . . . . 72.510000000000005 107.823 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.5 m -121.97 164.52 17.47 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.941 -1.503 . . . . 42.310000000000002 106.941 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -154.53 150.84 28.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 118.112 0.415 . . . . 64.049999999999997 111.683 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.7 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.9 m -98.36 120.02 38.04 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 123.876 0.735 . . . . 73.5 109.96 -174.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 14.2 ptp180 -137.02 168.32 19.82 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.784 0.661 . . . . 75.430000000000007 112.784 176.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 67.4 p -87.53 -12.55 45.5 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.962 -0.563 . . . . 45.039999999999999 112.025 -174.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -146.9 -131.05 2.15 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.022 -1.085 . . . . 62.25 112.846 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -97.84 169.35 9.72 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 122.769 0.428 . . . . 73.239999999999995 110.731 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 8.3 p -135.38 160.43 38.44 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.08 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -74.92 79.03 2.15 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.345 0.593 . . . . 32.509999999999998 111.036 -178.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 12.1 t 174.11 -44.99 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 114.111 -1.404 . . . . 74.150000000000006 108.575 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 60.42 -179.68 0.1 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 123.667 0.787 . . . . 75.200000000000003 111.07 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 70.61 -48.28 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.765 1.226 . . . . 65.030000000000001 113.416 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 31.3 m -73.72 25.77 0.07 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 124.842 1.257 . . . . 72.109999999999999 113.089 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.52 112.96 16.12 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 104.79 -2.3 . . . . 55.439999999999998 104.79 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -115.75 -1.79 12.57 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.827 -1.079 . . . . 63.130000000000003 112.796 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.26 163.49 33.52 Favored Glycine 0 N--CA 1.415 -2.74 0 C-N-CA 120.314 -0.946 . . . . 73.129999999999995 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.01 152.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 C-N-CA 123.196 0.598 . . . . 63.210000000000001 110.176 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.8 p -148.21 119.9 8.05 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.996 -1.002 . . . . 74.109999999999999 109.63 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.41 117.75 32.35 Favored 'General case' 0 N--CA 1.413 -2.275 0 N-CA-C 107.836 -1.172 . . . . 75.150000000000006 107.836 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.448 HD13 ' CE2' ' B' ' 127' ' ' TYR . 59.6 mt -126.92 123.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 CA-C-N 113.44 -1.709 . . . . 74.109999999999999 109.337 -171.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p 51.69 32.09 8.84 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.132 1.373 . . . . 74.439999999999998 113.548 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.93 10.34 64.81 Favored Glycine 0 C--O 1.242 0.618 0 C-N-CA 120.546 -0.835 . . . . 45.520000000000003 112.817 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.1 136.65 54.38 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 108.224 -1.028 . . . . 73.549999999999997 108.224 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.53 121.91 35.42 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.724 -0.843 . . . . 73.439999999999998 108.724 -176.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 72.1 m-85 -103.65 123.97 47.97 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 115.681 -0.69 . . . . 75.239999999999995 110.361 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 65.2 mtt85 -102.85 143.4 32.51 Favored 'General case' 0 CA--C 1.464 -2.337 0 CA-C-N 115.293 -0.867 . . . . 72.430000000000007 109.337 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD21 ' SG ' ' B' ' 105' ' ' CYS . 47.2 mt -108.74 107.92 18.55 Favored 'General case' 0 N--CA 1.399 -3.013 0 N-CA-C 107.671 -1.233 . . . . 73.25 107.671 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' SER . 28.1 p -112.53 121.28 44.36 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 107.338 -1.356 . . . . 54.539999999999999 107.338 173.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -109.21 158.41 17.85 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.955 -0.698 . . . . 54.43 110.738 -169.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--O 1.259 1.565 0 CA-C-N 116.334 -0.394 . . . . 75.150000000000006 110.053 -177.775 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.275 -0.639 . . . . 43.130000000000003 109.275 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 42.4 m -123.44 111.34 16.22 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 108.79 -0.819 . . . . 73.510000000000005 108.79 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 33.9 m -125.62 165.84 17.81 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.638 -1.615 . . . . 72.420000000000002 106.638 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -160.35 153.98 22.45 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 118.311 0.505 . . . . 72.420000000000002 111.9 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.735 ' SG ' HD21 ' A' ' 29' ' ' LEU . 32.2 m -94.52 110.49 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.606 -0.724 . . . . 73.030000000000001 110.439 -174.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.582 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.318 2.9 ppt_? -116.64 136.19 53.17 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 114.895 1.443 . . . . 71.540000000000006 114.895 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 76.3 p -78.04 -1.91 34.62 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.761 -1.563 . . . . 72.310000000000002 112.355 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.93 -98.26 0.15 Allowed Glycine 0 CA--C 1.472 -2.604 0 N-CA-C 109.307 -1.517 . . . . 73.540000000000006 109.307 -175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.473 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.4 ptt180 -124.92 178.34 5.56 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 116.928 0.364 . . . . 72.329999999999998 110.215 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.539 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 7.5 p -140.95 148.03 39.74 Favored 'General case' 0 C--O 1.248 1.026 0 N-CA-C 108.962 -0.755 . . . . 75.420000000000002 108.962 174.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.61 78.4 1.99 Allowed 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.965 0.888 . . . . 63.140000000000001 112.132 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.8 t 177.68 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 113.958 -1.473 . . . . 75.430000000000007 107.584 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 53.44 -164.13 0.09 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 123.735 0.814 . . . . 70.540000000000006 111.521 177.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 71.99 -48.03 0.67 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.893 1.277 . . . . 74.540000000000006 113.366 173.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.5 t -102.85 88.62 3.24 Favored 'General case' 0 N--CA 1.418 -2.07 0 CA-C-O 121.445 0.641 . . . . 62.329999999999998 111.555 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.539 HD21 HG13 ' B' ' 119' ' ' VAL . 3.5 tt -99.87 117.03 33.32 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 103.647 -2.723 . . . . 51.210000000000001 103.647 169.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.7 p -107.95 -7.35 16.23 Favored 'General case' 0 C--N 1.278 -2.541 0 N-CA-C 113.76 1.022 . . . . 60.450000000000003 113.76 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.32 163.58 32.94 Favored Glycine 0 N--CA 1.424 -2.162 0 C-N-CA 120.235 -0.983 . . . . 71.310000000000002 110.937 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.539 HG13 HD21 ' B' ' 116' ' ' LEU . 6.3 m -137.68 146.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.463 0.649 . . . . 74.340000000000003 110.768 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.1 p -146.87 117.72 7.64 Favored 'General case' 0 C--N 1.27 -2.878 0 CA-C-N 114.965 -1.016 . . . . 65.019999999999996 109.737 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.488 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.1 OUTLIER -97.23 121.05 38.68 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.097 -1.446 . . . . 62.130000000000003 107.097 178.228 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.472 HD13 ' CE2' ' A' ' 27' ' ' TYR . 34.9 mt -131.76 124.82 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 0 CA-C-N 114.244 -1.344 . . . . 73.510000000000005 108.615 -172.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p 54.26 31.58 14.49 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 125.59 1.556 . . . . 44.149999999999999 113.068 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.63 18.42 61.91 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.754 -0.736 . . . . 62.210000000000001 112.609 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -127.88 136.87 51.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.236 -1.024 . . . . 73.340000000000003 108.236 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.03 121.32 35.39 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 119.758 -0.777 . . . . 74.120000000000005 109.584 -176.491 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.448 ' CE2' HD13 ' A' ' 22' ' ' ILE . 80.9 m-85 -103.67 113.84 27.66 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 115.416 -0.811 . . . . 74.230000000000004 109.793 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.506 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 58.8 mtt85 -97.98 142.72 29.35 Favored 'General case' 0 CA--C 1.472 -2.028 0 N-CA-C 108.186 -1.042 . . . . 71.549999999999997 108.186 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.7 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.6 mt -105.0 126.21 51.81 Favored 'General case' 0 C--N 1.262 -3.204 0 N-CA-C 108.382 -0.969 . . . . 65.019999999999996 108.382 -178.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.582 ' HB3' HH21 ' B' ' 106' ' ' ARG . 11.5 p -129.04 142.88 50.76 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 108.438 -0.949 . . . . 74.200000000000003 108.438 173.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 5.5 t -126.47 147.57 49.8 Favored 'General case' 0 N--CA 1.404 -2.772 0 N-CA-C 108.648 -0.871 . . . . 74.129999999999995 108.648 -174.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.304 -1.376 0 O-C-N 123.175 0.297 . . . . 62.439999999999998 111.253 -174.781 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 109.45 -0.574 . . . . 74.519999999999996 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.534 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 34.3 m -109.57 110.6 21.72 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.267 -1.012 . . . . 73.030000000000001 108.267 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' B' ' 117' ' ' SER . 7.2 m -132.03 160.34 36.16 Favored 'General case' 0 N--CA 1.418 -2.033 0 N-CA-C 105.065 -2.198 . . . . 74.5 105.065 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -157.69 151.77 24.44 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 118.203 0.456 . . . . 72.430000000000007 111.405 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.656 ' SG ' HD21 ' B' ' 129' ' ' LEU . 28.1 m -87.3 94.64 9.73 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 124.119 0.887 . . . . 74.030000000000001 110.128 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 12.5 ptt180 -93.0 139.38 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.378 -0.374 . . . . 75.510000000000005 111.545 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.03 0.36 53.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.227 -0.442 . . . . 44.530000000000001 111.159 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -156.29 -117.25 0.55 Allowed Glycine 0 N--CA 1.422 -2.286 0 N-CA-C 110.713 -0.955 . . . . 53.549999999999997 110.713 -174.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 38.7 ptt180 -111.4 177.81 4.54 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 116.989 0.394 . . . . 71.409999999999997 110.709 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 p -146.24 169.03 19.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.229 -1.767 . . . . 54.5 106.229 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -22.2 62.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.759 0.709 . . . . 50.219999999999999 110.269 -174.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -84.56 77.29 10.06 Favored 'General case' 0 N--CA 1.417 -2.117 0 CA-C-O 123.09 1.424 . . . . 60.509999999999998 108.414 170.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.23 153.63 42.86 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.471 -1.24 . . . . 73.430000000000007 110.735 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 73.58 -17.08 0.45 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.773 1.229 . . . . 72.219999999999999 111.585 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -85.79 75.13 10.09 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 122.212 1.006 . . . . 64.019999999999996 110.46 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.717 HD21 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -101.8 114.46 28.55 Favored 'General case' 0 N--CA 1.415 -2.212 0 N-CA-C 105.92 -1.881 . . . . 50.140000000000001 105.92 172.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -102.88 -15.78 16.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.837 -1.074 . . . . 73.129999999999995 111.224 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.32 34.7 Favored Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 110.732 -0.947 . . . . 51.020000000000003 110.732 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.717 HG13 HD21 ' A' ' 16' ' ' LEU . 4.1 m -143.14 149.58 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.025 0 CA-C-O 121.567 0.699 . . . . 53.340000000000003 112.531 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -152.93 114.88 4.34 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.062 -1.426 . . . . 74.109999999999999 108.39 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HB2' HD22 ' A' ' 26' ' ' LEU . 36.4 tt0 -96.67 107.86 20.38 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.797 -1.186 . . . . 71.349999999999994 107.797 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.454 HD13 ' CE2' ' B' ' 127' ' ' TYR . 28.0 mt -125.66 135.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-N 114.706 -1.133 . . . . 74.319999999999993 109.04 -170.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 52.48 32.86 12.11 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.575 1.15 . . . . 64.340000000000003 113.108 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.17 -2.12 87.6 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.731 -0.747 . . . . 73.040000000000006 112.811 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -108.4 143.04 37.87 Favored 'General case' 0 CA--C 1.454 -2.726 0 CA-C-O 121.12 0.486 . . . . 70.129999999999995 110.445 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -94.57 111.88 23.64 Favored 'General case' 0 C--N 1.258 -3.381 0 N-CA-C 106.269 -1.752 . . . . 62.109999999999999 106.269 178.441 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' B' ' 122' ' ' ILE . 81.2 m-85 -93.78 102.63 14.77 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-O 121.8 0.809 . . . . 74.439999999999998 109.756 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 58.1 mtt85 -90.85 146.19 24.14 Favored 'General case' 0 CA--C 1.47 -2.1 0 CA-C-N 114.885 -1.052 . . . . 74.219999999999999 108.32 177.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD11 ' SG ' ' B' ' 105' ' ' CYS . 51.6 mt -109.65 112.64 24.83 Favored 'General case' 0 C--N 1.254 -3.563 0 N-CA-C 108.246 -1.02 . . . . 61.240000000000002 108.246 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HB3' HH21 ' A' ' 6' ' ' ARG . 20.3 p -112.15 137.52 50.11 Favored 'General case' 0 CA--C 1.474 -1.957 0 N-CA-C 108.144 -1.058 . . . . 74.219999999999999 108.144 171.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.4 t -133.13 140.28 47.54 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.603 -0.888 . . . . 71.530000000000001 108.603 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 21.6 ptt180 . . . . . 0 C--N 1.318 -0.764 0 C-N-CA 120.393 -0.523 . . . . 74.420000000000002 111.109 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.525 0 CA-C-O 120.746 0.308 . . . . 51.439999999999998 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.9 m -112.8 111.99 23.16 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.605 -1.257 . . . . 71.439999999999998 107.605 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 47.2 m -118.53 157.8 26.62 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.61 -0.885 . . . . 61.039999999999999 108.61 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.17 137.11 16.27 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 120.992 0.425 . . . . 74.340000000000003 111.986 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.599 ' SG ' HD11 ' A' ' 29' ' ' LEU . 25.1 m -81.76 112.04 18.55 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.111 -0.949 . . . . 73.239999999999995 109.404 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.543 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.306 1.0 OUTLIER -118.04 136.26 53.66 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 114.33 1.233 . . . . 65.540000000000006 114.33 179.584 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 40.1 p -83.68 18.74 1.83 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 114.345 -1.298 . . . . 43.350000000000001 111.746 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.78 -114.13 0.3 Allowed Glycine 0 N--CA 1.405 -3.416 0 N-CA-C 109.588 -1.405 . . . . 65.010000000000005 109.588 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.492 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 40.0 ptt180 -115.51 178.6 4.24 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 122.965 0.506 . . . . 62.020000000000003 109.686 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 6.1 p -145.67 169.05 19.23 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.131 -1.803 . . . . 73.439999999999998 106.131 176.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.11 -20.36 63.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 119.292 0.951 . . . . 74.230000000000004 110.681 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 5.8 t -86.25 93.39 9.05 Favored 'General case' 0 N--CA 1.428 -1.559 0 N-CA-C 107.745 -1.206 . . . . 71.430000000000007 107.745 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -87.34 -20.36 26.87 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.31 -0.859 . . . . 74.109999999999999 111.741 -174.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -83.6 3.24 33.53 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.542 -0.299 . . . . 72.049999999999997 110.71 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.8 t -129.83 84.88 2.25 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 113.777 1.029 . . . . 64.230000000000004 113.777 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.509 HD21 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -101.97 112.63 25.34 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 104.65 -2.352 . . . . 73.219999999999999 104.65 165.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.438 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 14.8 m -101.27 -17.57 16.51 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 115.49 -0.777 . . . . 61.030000000000001 111.842 -171.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.88 35.13 Favored Glycine 0 N--CA 1.425 -2.095 0 C-N-CA 120.763 -0.732 . . . . 54.329999999999998 111.291 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.509 HG13 HD21 ' B' ' 116' ' ' LEU . 3.6 m -137.24 144.18 32.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 123.185 0.594 . . . . 74.340000000000003 111.029 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 8.0 p -145.61 119.05 9.02 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.112 -0.949 . . . . 63.119999999999997 109.764 175.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.512 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.2 OUTLIER -97.95 122.23 40.82 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.838 -1.171 . . . . 73.420000000000002 107.838 178.555 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 27' ' ' TYR . 23.0 mt -134.98 128.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.123 0 CA-C-N 114.517 -1.219 . . . . 72.140000000000001 107.752 -173.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 80.1 p 54.98 31.81 16.8 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 125.448 1.499 . . . . 65.010000000000005 112.543 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 82.94 4.58 89.95 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 120.864 -0.684 . . . . 64.239999999999995 112.292 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.402 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 39.2 ttm180 -112.93 136.84 52.14 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.338 -1.356 . . . . 65.239999999999995 107.338 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.4 123.77 38.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 119.307 -0.957 . . . . 71.140000000000001 109.354 -176.52 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.454 ' CE2' HD13 ' A' ' 22' ' ' ILE . 83.5 m-85 -106.07 109.12 20.96 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.471 -0.786 . . . . 65.239999999999995 109.949 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.7 mtt85 -93.53 147.26 23.15 Favored 'General case' 0 CA--C 1.481 -1.688 0 N-CA-C 108.962 -0.755 . . . . 73.439999999999998 108.962 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.656 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.7 mt -109.98 120.34 42.16 Favored 'General case' 0 C--N 1.274 -2.713 0 CA-C-N 115.844 -0.616 . . . . 74.230000000000004 109.513 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.543 ' HB3' HH21 ' B' ' 106' ' ' ARG . 3.5 p -117.34 137.27 52.56 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.617 -0.882 . . . . 70.510000000000005 108.617 170.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 17.1 t -139.3 150.32 45.28 Favored 'General case' 0 N--CA 1.404 -2.77 0 C-N-CA 119.329 -0.949 . . . . 73.019999999999996 110.592 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -2.024 0 CA-C-N 114.738 -1.119 . . . . 71.420000000000002 109.97 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.416 0 N-CA-C 109.107 -0.701 . . . . 70.209999999999994 109.107 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' A' ' 32' ' ' ARG . 50.0 m -107.8 111.24 23.31 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 107.893 -1.151 . . . . 71.299999999999997 107.893 176.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -124.18 157.85 33.75 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.095 -1.446 . . . . 74.140000000000001 107.095 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -158.64 148.5 19.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.327 -0.99 . . . . 72.099999999999994 108.327 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.733 ' SG ' HD21 ' B' ' 129' ' ' LEU . 28.9 m -88.48 107.0 18.64 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.632 -0.507 . . . . 71.329999999999998 109.632 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -118.6 160.25 22.13 Favored 'General case' 0 C--O 1.193 -1.869 0 C-N-CA 119.794 -0.762 . . . . 64.319999999999993 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.574 HG21 ' NE ' ' A' ' 25' ' ' ARG . 62.0 p -100.81 8.35 43.25 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 113.184 0.809 . . . . 61.350000000000001 113.184 -173.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.3 -136.49 2.49 Favored Glycine 0 CA--C 1.482 -2.027 0 C-N-CA 118.5 -1.809 . . . . 64.0 112.713 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -97.36 162.47 13.31 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 109.809 -0.441 . . . . 71.129999999999995 109.809 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 p -125.03 171.78 9.97 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.004 -1.48 . . . . 62.140000000000001 107.004 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.75 65.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.139 0.881 . . . . 72.109999999999999 110.614 -171.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -95.55 92.49 6.67 Favored 'General case' 0 N--CA 1.408 -2.569 0 N-CA-C 106.398 -1.704 . . . . 54.549999999999997 106.398 167.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 110.81 7.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.162 -0.681 . . . . 64.420000000000002 109.162 -172.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.327 44.4 mt-10 82.17 76.5 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.15 1.452 . . . . 64.25 113.821 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.6 m -142.06 35.16 1.54 Allowed 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 103.656 -2.72 . . . . 71.400000000000006 103.656 173.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.732 HD21 HG13 ' A' ' 19' ' ' VAL . 3.1 tt -78.8 120.75 23.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 111.933 -2.394 . . . . 74.409999999999997 107.539 -175.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 p -111.54 -6.9 14.35 Favored 'General case' 0 C--N 1.277 -2.577 0 CA-C-N 114.938 -1.028 . . . . 62.350000000000001 111.834 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.43 161.14 30.04 Favored Glycine 0 N--CA 1.426 -1.991 0 N-CA-C 110.275 -1.13 . . . . 73.109999999999999 110.275 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.732 HG13 HD21 ' A' ' 16' ' ' LEU . 2.7 m -139.16 144.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-O 121.307 0.575 . . . . 62.149999999999999 111.708 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.93 118.11 11.3 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 115.009 -0.996 . . . . 72.010000000000005 110.184 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.666 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.43 124.05 41.48 Favored 'General case' 0 N--CA 1.41 -2.435 0 N-CA-C 107.271 -1.381 . . . . 73.120000000000005 107.271 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.6 mt -128.78 114.47 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 115.43 -0.804 . . . . 63.229999999999997 109.148 -174.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 p 53.77 31.25 12.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 126.157 1.783 . . . . 71.420000000000002 113.459 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.48 -10.34 57.76 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.972 -0.632 . . . . 71.120000000000005 113.726 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' NE ' HG21 ' A' ' 7' ' ' THR . 54.1 ttt180 -104.19 130.7 51.95 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.496 -1.668 . . . . 75.299999999999997 106.496 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -94.31 119.67 33.42 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.635 -0.826 . . . . 64.230000000000004 108.96 -174.171 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 97.1 m-85 -99.96 111.04 23.36 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-N 115.8 -0.636 . . . . 64.430000000000007 109.89 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -92.35 143.1 26.73 Favored 'General case' 0 CA--C 1.477 -1.828 0 C-N-CA 123.84 0.856 . . . . 74.239999999999995 109.754 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.653 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.3 mt -105.73 107.8 18.99 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 107.891 -1.152 . . . . 74.510000000000005 107.891 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.6 115.47 26.49 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.652 -1.61 . . . . 63.350000000000001 106.652 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 t -113.74 147.78 37.65 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-N 115.164 -0.925 . . . . 75.310000000000002 111.019 -166.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.469 ' HG3' ' HB ' ' A' ' 2' ' ' THR . 17.8 ptm180 . . . . . 0 C--N 1.304 -1.383 0 CA-C-N 115.626 -0.716 . . . . 75.420000000000002 110.006 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.494 -0.558 . . . . 74.219999999999999 109.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 62.4 m -134.5 112.0 10.55 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.055 -1.091 . . . . 73.349999999999994 108.055 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 6.9 m -133.9 168.7 18.28 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.06 -1.459 . . . . 65.140000000000001 107.06 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -159.71 140.25 12.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.243 0.474 . . . . 75.340000000000003 111.932 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.653 ' SG ' HD21 ' A' ' 29' ' ' LEU . 20.3 m -87.79 115.57 25.33 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-N 115.389 -0.823 . . . . 71.209999999999994 109.284 -177.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -140.54 160.43 40.02 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.28 -0.968 . . . . 64.099999999999994 110.994 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.474 HG21 ' NE ' ' B' ' 125' ' ' ARG . 18.5 p -91.02 15.94 10.56 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 112.794 0.664 . . . . 74.409999999999997 112.794 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.01 -146.3 4.3 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 119.946 -1.121 . . . . 51.539999999999999 112.136 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -98.28 160.96 13.94 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-O 121.55 0.691 . . . . 73.310000000000002 110.896 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 55.8 m -125.51 168.19 13.98 Favored 'General case' 0 N--CA 1.394 -3.251 0 CA-C-N 114.669 -1.15 . . . . 72.450000000000003 108.471 -171.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.55 71.8 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.403 -1.332 . . . . 70.140000000000001 107.403 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.2 t -77.11 92.06 3.74 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 107.963 -1.125 . . . . 75.340000000000003 107.963 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -87.54 174.11 8.67 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.038 -0.983 . . . . 71.400000000000006 108.459 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 70.38 -51.21 0.66 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.961 0.905 . . . . 63.200000000000003 111.818 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 35.0 t -79.95 78.9 6.54 Favored 'General case' 0 N--CA 1.415 -2.199 0 CA-C-O 121.566 0.698 . . . . 61.329999999999998 112.701 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.569 HD21 HG13 ' B' ' 119' ' ' VAL . 3.2 tt -99.51 113.57 26.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 103.123 -2.917 . . . . 65.030000000000001 103.123 168.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 m -97.35 -19.6 18.39 Favored 'General case' 0 C--N 1.264 -3.137 0 CA-C-N 114.87 -1.059 . . . . 71.150000000000006 112.254 -168.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.26 164.78 34.85 Favored Glycine 0 N--CA 1.428 -1.846 0 N-CA-C 110.883 -0.887 . . . . 51.329999999999998 110.883 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.569 HG13 HD21 ' B' ' 116' ' ' LEU . 7.6 m -134.51 155.82 39.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 CA-C-O 121.032 0.444 . . . . 53.5 110.431 173.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 9.9 p -149.67 117.18 6.13 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 114.817 -1.083 . . . . 53.420000000000002 109.039 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.561 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.74 118.74 34.96 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 107.362 -1.347 . . . . 74.030000000000001 107.362 178.115 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.485 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 37.0 mt -133.69 128.39 54.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 CA-C-N 114.361 -1.291 . . . . 74.329999999999998 108.323 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 68.5 p 56.53 32.32 20.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.243 1.417 . . . . 74.219999999999999 112.91 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 80.28 15.82 77.66 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.421 -0.419 . . . . 54.439999999999998 112.213 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.474 ' NE ' HG21 ' B' ' 107' ' ' THR . 52.2 ttt180 -126.86 135.25 50.72 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.118 -1.438 . . . . 74.450000000000003 107.118 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.08 118.84 32.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.811 -0.756 . . . . 75.230000000000004 109.359 -174.617 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 22' ' ' ILE . 86.7 m-85 -101.63 114.75 29.08 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.53 -0.759 . . . . 73.329999999999998 110.038 176.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -91.54 148.72 22.08 Favored 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 109.5 -0.556 . . . . 73.450000000000003 109.5 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.733 HD21 ' SG ' ' A' ' 5' ' ' CYS . 58.3 mt -114.4 106.74 14.66 Favored 'General case' 0 N--CA 1.39 -3.444 0 N-CA-C 106.733 -1.581 . . . . 62.340000000000003 106.733 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 14.6 p -106.48 136.06 46.9 Favored 'General case' 0 C--N 1.263 -3.17 0 N-CA-C 106.733 -1.58 . . . . 62.509999999999998 106.733 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.1 t -132.9 152.52 51.87 Favored 'General case' 0 N--CA 1.404 -2.763 0 C-N-CA 118.555 -1.258 . . . . 74.319999999999993 110.931 -174.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 132' ' ' ARG . 14.4 ptm180 . . . . . 0 N--CA 1.433 -1.317 0 CA-C-N 115.036 -0.984 . . . . 74.200000000000003 109.292 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.759 0 N-CA-C 109.041 -0.725 . . . . 63.030000000000001 109.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.2 m -118.98 112.01 19.05 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.568 -0.901 . . . . 74.549999999999997 108.568 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -124.25 165.77 17.05 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.235 -1.765 . . . . 74.109999999999999 106.235 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 26.8 p90 -158.87 152.63 23.23 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 118.041 0.382 . . . . 74.129999999999995 111.707 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.581 ' SG ' HD21 ' B' ' 129' ' ' LEU . 26.9 m -87.56 109.37 19.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.136 -0.938 . . . . 70.409999999999997 108.81 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 15.3 ptt180 -105.69 150.05 25.83 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 116.051 -0.522 . . . . 62.409999999999997 110.651 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -90.24 -4.79 56.98 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.328 0.585 . . . . 72.439999999999998 111.499 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.487 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -162.32 -110.37 0.25 Allowed Glycine 0 N--CA 1.414 -2.809 0 N-CA-C 110.378 -1.089 . . . . 72.439999999999998 110.378 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -98.14 177.82 5.28 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.029 -0.73 . . . . 73.439999999999998 109.029 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 17.5 p -146.46 145.62 30.27 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.141 -1.059 . . . . 43.219999999999999 108.141 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 85.6 1.51 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.606 0.717 . . . . 24.43 110.733 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t 173.14 -36.13 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 126.204 1.802 . . . . 62.539999999999999 106.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 53.65 -173.92 0.04 OUTLIER 'General case' 0 C--N 1.373 1.595 0 N-CA-C 114.201 1.186 . . . . 75.219999999999999 114.201 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 69.32 -55.46 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.558 1.543 . . . . 63.109999999999999 114.285 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 18.5 m -80.89 77.0 7.81 Favored 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 112.653 0.612 . . . . 74.319999999999993 112.653 -175.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.507 HD21 HG13 ' A' ' 19' ' ' VAL . 4.5 tt -95.7 108.08 20.34 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 104.005 -2.591 . . . . 74.010000000000005 104.005 169.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -111.26 -5.9 14.62 Favored 'General case' 0 C--N 1.266 -3.035 0 CA-C-N 114.64 -1.164 . . . . 74.349999999999994 113.237 -168.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.92 163.64 33.3 Favored Glycine 0 N--CA 1.417 -2.588 0 N-CA-C 110.369 -1.092 . . . . 64.409999999999997 110.369 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG13 HD21 ' A' ' 16' ' ' LEU . 11.5 m -142.64 149.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 121.672 0.748 . . . . 72.409999999999997 110.987 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.9 p -146.01 114.97 6.95 Favored 'General case' 0 C--N 1.27 -2.852 0 CA-C-N 114.703 -1.135 . . . . 75.510000000000005 109.496 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' HD22 ' A' ' 26' ' ' LEU . 1.2 tm-20 -96.19 121.37 37.9 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.133 -1.062 . . . . 75.230000000000004 108.133 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' B' ' 127' ' ' TYR . 24.8 mt -134.04 127.83 52.13 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-N 114.143 -1.39 . . . . 75.129999999999995 107.89 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.3 p 52.4 32.5 11.31 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 124.857 1.263 . . . . 72.450000000000003 112.924 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 -6.5 83.22 Favored Glycine 0 C--O 1.244 0.748 0 C-N-CA 121.444 -0.408 . . . . 74.510000000000005 113.013 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -103.86 137.22 42.16 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.678 -0.86 . . . . 74.430000000000007 108.678 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.91 117.46 30.13 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 108.589 -0.893 . . . . 75.310000000000002 108.589 -176.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' CE2' HD13 ' B' ' 122' ' ' ILE . 80.2 m-85 -99.27 115.24 28.69 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-N 115.692 -0.685 . . . . 74.25 109.72 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.487 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 69.2 mtt85 -94.07 155.02 17.32 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 115.695 -0.684 . . . . 72.230000000000004 109.209 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.678 HD21 ' SG ' ' B' ' 105' ' ' CYS . 67.4 mt -116.43 126.45 53.45 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 109.236 -0.653 . . . . 70.540000000000006 109.236 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' SER . 24.3 p -128.51 142.27 51.13 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 107.21 -1.404 . . . . 51.200000000000003 107.21 172.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -131.33 150.27 52.22 Favored 'General case' 0 N--CA 1.415 -2.204 0 C-N-CA 119.003 -1.079 . . . . 74.319999999999993 110.159 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--O 1.256 1.406 0 N-CA-C 109.109 -0.7 . . . . 73.319999999999993 109.109 -178.468 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.503 0.192 . . . . 51.32 110.801 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.488 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 59.5 m -122.77 112.62 18.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.406 -0.961 . . . . 62.240000000000002 108.406 173.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.09 155.06 28.83 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.053 -1.462 . . . . 55.210000000000001 107.053 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -148.51 137.99 22.01 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.363 -0.535 . . . . 73.319999999999993 112.412 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.678 ' SG ' HD21 ' A' ' 29' ' ' LEU . 35.4 m -79.57 105.88 11.19 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.965 -1.016 . . . . 54.130000000000003 108.808 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.488 ' HD2' ' HB2' ' B' ' 128' ' ' ARG 0.269 0.4 OUTLIER -113.62 141.28 47.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.314 0.857 . . . . 63.509999999999998 113.314 -178.904 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 -2.68 48.01 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.771 -1.104 . . . . 71.049999999999997 112.63 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.485 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -160.43 -105.42 0.2 Allowed Glycine 0 N--CA 1.415 -2.748 0 C-N-CA 120.075 -1.059 . . . . 70.340000000000003 110.655 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -98.72 179.34 4.7 Favored 'General case' 0 C--N 1.281 -2.403 0 N-CA-C 109.222 -0.659 . . . . 74.209999999999994 109.222 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.472 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.3 p -141.62 147.76 38.11 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.627 -0.879 . . . . 74.209999999999994 108.627 169.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -72.88 87.21 1.3 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.689 0.757 . . . . 72.219999999999999 111.746 -174.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 13.5 t 169.22 -35.13 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 125.782 1.633 . . . . 73.409999999999997 106.661 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 63.67 151.21 0.04 OUTLIER 'General case' 0 C--N 1.364 1.208 0 N-CA-C 114.621 1.341 . . . . 73.420000000000002 114.621 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 46.79 72.91 0.21 Allowed 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.548 -1.206 . . . . 75.209999999999994 113.707 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 53.1 m -155.27 31.07 0.39 Allowed 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.203 -1.362 . . . . 75.150000000000006 107.918 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.564 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.92 118.43 20.93 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.837 -1.172 . . . . 75.129999999999995 107.837 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.6 p -114.61 -8.31 12.72 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.596 -1.184 . . . . 72.319999999999993 112.587 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.94 163.61 33.24 Favored Glycine 0 N--CA 1.437 -1.295 0 N-CA-C 110.74 -0.944 . . . . 74.099999999999994 110.74 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.564 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -141.54 145.42 24.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.282 0.563 . . . . 60.43 111.748 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 7.3 p -145.03 116.9 8.23 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 114.922 -1.035 . . . . 65.540000000000006 109.077 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.44 ' HB2' HD22 ' B' ' 126' ' ' LEU . 43.6 tt0 -97.35 108.31 21.01 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.471 -0.937 . . . . 63.310000000000002 108.471 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 27' ' ' TYR . 28.8 mt -121.46 128.71 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 115.056 -0.975 . . . . 61.100000000000001 109.015 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.8 p 56.12 32.32 19.89 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.606 1.562 . . . . 64.030000000000001 113.144 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.05 -0.46 89.01 Favored Glycine 0 C--N 1.321 -0.299 0 C-N-CA 121.21 -0.519 . . . . 72.25 112.651 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.433 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.5 ttm180 -107.56 136.62 47.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 107.665 -1.235 . . . . 61.119999999999997 107.665 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.95 119.14 32.45 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 108.266 -1.013 . . . . 71.430000000000007 108.266 -176.533 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.568 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.8 m-85 -98.97 107.17 19.54 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-N 115.803 -0.635 . . . . 75.340000000000003 110.26 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.488 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 73.0 mtt85 -92.13 143.67 26.21 Favored 'General case' 0 CA--C 1.478 -1.826 0 CA-C-N 115.446 -0.797 . . . . 72.439999999999998 109.115 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.581 HD21 ' SG ' ' A' ' 5' ' ' CYS . 57.3 mt -107.44 132.05 53.62 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.896 -0.593 . . . . 74.219999999999999 109.555 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.475 ' HB3' HH21 ' B' ' 106' ' ' ARG . 7.5 p -133.17 141.94 48.37 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.727 -1.583 . . . . 42.130000000000003 106.727 169.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -132.37 157.98 43.12 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 118.602 -1.239 . . . . 64.340000000000003 111.384 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.488 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 16.4 ptm180 . . . . . 0 N--CA 1.423 -1.795 0 C-N-CA 124.169 0.988 . . . . 73.420000000000002 108.767 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 108.468 -0.938 . . . . 74.340000000000003 108.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.51 111.38 17.62 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 108.758 -0.83 . . . . 75.239999999999995 108.758 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 m -125.27 157.18 37.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 105.751 -1.944 . . . . 55.030000000000001 105.751 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -153.27 147.79 26.08 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 120.752 0.311 . . . . 74.510000000000005 110.483 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.628 ' SG ' HD21 ' B' ' 129' ' ' LEU . 32.6 m -86.52 103.14 14.76 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.381 -0.827 . . . . 72.349999999999994 108.807 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.542 HH11 ' HA ' ' A' ' 9' ' ' ARG . 12.8 ptt180 -91.84 145.0 24.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.991 0.424 . . . . 73.439999999999998 110.893 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -96.32 13.35 27.94 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.379 -0.828 . . . . 52.229999999999997 110.571 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.85 -111.41 0.25 Allowed Glycine 0 N--CA 1.417 -2.574 0 N-CA-C 109.707 -1.357 . . . . 44.240000000000002 109.707 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.542 ' HA ' HH11 ' A' ' 6' ' ' ARG . 15.4 ptt180 -111.63 178.59 4.28 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.766 -0.457 . . . . 62.329999999999998 109.766 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 12' ' ' THR . 9.5 p -144.71 165.82 26.98 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.834 -0.802 . . . . 63.140000000000001 108.834 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.4 29.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.891 0.853 . . . . 70.140000000000001 111.202 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.494 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.0 t -157.86 41.7 0.29 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.307 -1.738 . . . . 60.539999999999999 106.307 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -58.77 150.46 23.66 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.999 -1.0 . . . . 74.430000000000007 110.73 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 78.13 1.44 2.75 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.679 1.191 . . . . 72.340000000000003 112.33 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -103.26 38.75 1.7 Allowed 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 105.687 -1.968 . . . . 71.319999999999993 105.687 171.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.665 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.78 119.35 21.87 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 106.514 -1.662 . . . . 72.049999999999997 106.514 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -106.2 -12.34 15.76 Favored 'General case' 0 C--N 1.273 -2.743 0 CA-C-N 114.955 -1.02 . . . . 61.450000000000003 112.792 -172.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.46 163.68 33.68 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 111.423 -0.671 . . . . 52.399999999999999 111.423 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.665 HG13 HD21 ' A' ' 16' ' ' LEU . 7.2 m -139.87 147.82 23.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-O 121.098 0.475 . . . . 75.040000000000006 111.235 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.8 p -147.01 119.88 8.7 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 114.611 -1.177 . . . . 64.219999999999999 109.047 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.24 108.51 21.25 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.031 -1.47 . . . . 75.230000000000004 107.031 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.419 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 35.7 mt -124.23 133.27 69.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 108.24 -1.022 . . . . 74.530000000000001 108.24 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p 54.17 32.26 15.59 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.425 1.09 . . . . 61.119999999999997 111.873 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.06 -17.32 33.02 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.767 -0.651 . . . . 60.140000000000001 113.371 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 40.4 ttm180 -89.58 137.77 32.04 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.771 -0.826 . . . . 74.430000000000007 108.771 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 117.54 30.25 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.264 -1.013 . . . . 63.240000000000002 108.264 -177.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CE2' HD13 ' B' ' 122' ' ' ILE . 83.8 m-85 -97.11 116.01 28.54 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.122 -0.945 . . . . 62.119999999999997 109.597 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 68.4 mtt85 -102.69 143.83 31.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 108.567 -0.901 . . . . 74.430000000000007 108.567 177.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD21 ' SG ' ' B' ' 105' ' ' CYS . 48.4 mt -107.5 124.67 50.23 Favored 'General case' 0 C--N 1.254 -3.556 0 N-CA-C 108.446 -0.946 . . . . 73.120000000000005 108.446 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 p -129.87 139.66 51.13 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.785 -1.561 . . . . 61.109999999999999 106.785 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -137.19 154.84 50.11 Favored 'General case' 0 N--CA 1.42 -1.955 0 C-N-CA 119.032 -1.067 . . . . 61.119999999999997 111.148 -169.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.449 0 N-CA-C 108.766 -0.827 . . . . 74.420000000000002 108.766 178.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.867 0 N-CA-C 110.469 -0.197 . . . . 42.200000000000003 110.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.509 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 89.4 m -114.6 112.47 22.96 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.32 -0.993 . . . . 63.340000000000003 108.32 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.6 m -118.68 162.8 17.82 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.959 -1.126 . . . . 73.540000000000006 107.959 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -155.49 148.84 24.87 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.656 0.265 . . . . 72.239999999999995 110.786 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' A' ' 29' ' ' LEU . 21.5 m -88.53 106.09 18.07 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.308 -0.86 . . . . 71.219999999999999 108.78 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.496 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.7 ptt180 -100.42 145.92 27.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.804 0.335 . . . . 72.209999999999994 111.226 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -88.9 0.5 56.54 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 122.885 0.474 . . . . 74.010000000000005 111.608 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -164.44 -116.19 0.36 Allowed Glycine 0 N--CA 1.421 -2.341 0 N-CA-C 110.419 -1.072 . . . . 64.209999999999994 110.419 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.496 ' HA ' HH11 ' B' ' 106' ' ' ARG . 24.9 ptt180 -104.23 167.83 9.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.361 0.601 . . . . 64.439999999999998 112.036 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 113' ' ' ARG . 7.9 p -135.99 166.9 22.26 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.121 -1.437 . . . . 73.329999999999998 107.121 174.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.16 -21.72 61.4 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.585 0.707 . . . . 70.129999999999995 109.867 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.3 t -93.33 33.93 1.19 Allowed 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.381 -0.97 . . . . 75.019999999999996 108.381 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' B' ' 110' ' ' CYS . 53.5 ttp180 -52.75 148.71 7.0 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.382 0.673 . . . . 73.310000000000002 111.192 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 80.33 0.99 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.9 1.28 . . . . 72.340000000000003 112.222 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t -100.38 37.44 1.68 Allowed 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 106.172 -1.788 . . . . 73.420000000000002 106.172 170.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.515 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.38 121.27 24.27 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 105.873 -1.899 . . . . 75.239999999999995 105.873 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.9 p -110.15 -19.39 13.05 Favored 'General case' 0 C--N 1.272 -2.787 0 CA-C-N 114.794 -1.094 . . . . 73.310000000000002 112.868 -172.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.29 164.4 34.85 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.984 -1.246 . . . . 64.200000000000003 109.984 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.515 HG13 HD21 ' B' ' 116' ' ' LEU . 28.4 m -134.75 159.16 41.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-O 121.467 0.651 . . . . 75.409999999999997 111.538 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 4.1 p -147.55 119.64 8.26 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-N 114.469 -1.241 . . . . 62.43 109.499 173.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.483 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.7 tm-20 -97.32 122.16 40.04 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 108.061 -1.088 . . . . 72.120000000000005 108.061 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 27' ' ' TYR . 29.1 mt -134.12 126.16 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.093 0 CA-C-N 114.551 -1.204 . . . . 54.340000000000003 108.592 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.5 p 52.6 32.78 12.31 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 125.249 1.42 . . . . 63.140000000000001 113.159 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.97 80.22 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.867 -0.683 . . . . 62.229999999999997 112.874 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.411 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 41.5 ttm180 -113.69 138.78 49.74 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.618 -0.882 . . . . 64.430000000000007 108.618 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.95 120.24 33.94 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.886 -0.783 . . . . 75.400000000000006 108.886 -177.26 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.419 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 83.6 m-85 -101.91 114.68 28.98 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.534 -0.757 . . . . 74.239999999999995 109.623 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.433 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.7 mtt85 -96.75 152.07 19.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.65 -0.705 . . . . 72.219999999999999 109.893 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.628 HD21 ' SG ' ' A' ' 5' ' ' CYS . 57.0 mt -113.91 123.93 50.95 Favored 'General case' 0 C--N 1.271 -2.845 0 N-CA-C 108.706 -0.85 . . . . 74.310000000000002 108.706 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.8 p -129.15 140.43 51.53 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.947 -1.871 . . . . 74.5 105.947 170.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.26 154.38 50.14 Favored 'General case' 0 N--CA 1.418 -2.067 0 C-N-CA 117.817 -1.553 . . . . 62.219999999999999 112.203 -168.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.509 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 1.5 ptm180 . . . . . 0 N--CA 1.417 -2.102 0 CA-C-N 114.904 -1.044 . . . . 72.510000000000005 109.039 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 120.883 0.373 . . . . 62.340000000000003 110.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.05 111.85 18.4 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 106.927 -1.508 . . . . 72.230000000000004 106.927 173.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.55 159.86 29.67 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.918 -1.512 . . . . 72.409999999999997 106.918 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -155.67 149.14 24.92 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 111.553 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.5 m -87.27 106.61 18.03 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.358 -0.837 . . . . 72.230000000000004 109.46 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.553 ' HD2' ' HB2' ' A' ' 28' ' ' ARG 0.284 2.8 ppt_? -109.97 136.52 49.12 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 113.453 0.909 . . . . 73.239999999999995 113.453 -179.796 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.2 p -87.48 7.85 27.49 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 114.384 -1.28 . . . . 71.049999999999997 111.864 -172.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.83 -108.64 0.23 Allowed Glycine 0 CA--C 1.459 -3.443 0 N-CA-C 108.305 -1.918 . . . . 75.209999999999994 108.305 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -117.57 178.5 4.37 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 109.622 -0.51 . . . . 60.420000000000002 109.622 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 6.7 p -146.92 166.18 27.52 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.486 -1.302 . . . . 72.150000000000006 107.486 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.16 69.47 5.36 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.64 0.733 . . . . 73.430000000000007 110.526 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 168.95 30.74 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 126.727 2.011 . . . . 52.140000000000001 106.02 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.79 146.18 17.82 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.401 -0.818 . . . . 74.200000000000003 111.333 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.369 0.4 OUTLIER 87.12 -12.64 0.52 Allowed 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 125.141 1.376 . . . . 45.520000000000003 112.48 -173.383 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -90.71 68.94 6.57 Favored 'General case' 0 N--CA 1.414 -2.232 0 N-CA-C 106.375 -1.713 . . . . 63.049999999999997 106.375 166.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD21 HG13 ' A' ' 19' ' ' VAL . 3.7 tt -100.27 115.95 31.13 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 105.597 -2.001 . . . . 54.140000000000001 105.597 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -103.51 -18.47 14.77 Favored 'General case' 0 C--N 1.267 -3.007 0 CA-C-N 114.756 -1.111 . . . . 73.230000000000004 111.491 -171.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 164.49 34.97 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 110.538 -1.025 . . . . 73.409999999999997 110.538 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.633 HG13 HD21 ' A' ' 16' ' ' LEU . 12.3 m -138.53 156.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-O 121.415 0.626 . . . . 54.020000000000003 111.882 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.3 p -154.0 122.21 6.1 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.473 -1.24 . . . . 32.100000000000001 108.979 175.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.06 120.89 39.25 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.851 -1.166 . . . . 71.219999999999999 107.851 177.325 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.517 HD13 ' CE2' ' B' ' 127' ' ' TYR . 34.8 mt -134.04 128.0 52.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 CA-C-N 114.863 -1.062 . . . . 72.0 108.907 -172.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p 54.46 31.96 15.75 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.877 1.671 . . . . 75.200000000000003 113.145 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.54 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.713 -0.756 . . . . 73.25 112.866 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -125.69 142.07 51.7 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 108.465 -0.939 . . . . 74.5 108.465 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.04 122.98 37.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 119.835 -0.746 . . . . 71.129999999999995 109.296 -176.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 84.4 m-85 -103.98 109.09 20.72 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.477 -0.783 . . . . 72.040000000000006 110.305 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 58.0 mtt85 -96.15 139.46 32.28 Favored 'General case' 0 CA--C 1.487 -1.461 0 N-CA-C 108.332 -0.988 . . . . 72.150000000000006 108.332 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' B' ' 105' ' ' CYS . 49.6 mt -105.2 117.09 33.12 Favored 'General case' 0 C--N 1.266 -3.049 0 N-CA-C 109.054 -0.721 . . . . 72.5 109.054 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.434 ' HB3' HH21 ' A' ' 6' ' ' ARG . 8.6 p -116.1 142.73 46.43 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.186 -1.042 . . . . 63.420000000000002 108.186 173.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 t -136.07 158.6 44.01 Favored 'General case' 0 N--CA 1.411 -2.387 0 C-N-CA 118.97 -1.092 . . . . 73.25 111.125 -172.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.255 1.38 0 CA-C-N 115.324 -0.853 . . . . 65.030000000000001 109.2 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 109.724 -0.473 . . . . 72.040000000000006 109.724 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 56.6 m -116.41 112.29 21.26 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.452 -0.944 . . . . 72.209999999999994 108.452 175.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.3 m -117.16 164.25 15.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.568 -1.271 . . . . 74.030000000000001 107.568 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -158.75 150.6 21.09 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.97 -0.381 . . . . 75.420000000000002 109.97 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' A' ' 29' ' ' LEU . 34.0 m -91.39 112.98 25.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 123.777 0.673 . . . . 72.329999999999998 109.87 -175.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.446 ' HG3' ' HB2' ' B' ' 128' ' ' ARG . 13.1 ptt180 -106.38 147.94 28.66 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.379 -0.373 . . . . 60.409999999999997 110.864 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 51.9 p -87.93 -7.71 56.75 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.293 0.568 . . . . 64.400000000000006 110.99 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.506 ' HA2' ' NH1' ' B' ' 128' ' ' ARG . . . -162.3 -91.5 0.08 OUTLIER Glycine 0 N--CA 1.414 -2.785 0 N-CA-C 110.524 -1.03 . . . . 53.32 110.524 -176.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -114.28 171.63 7.5 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.389 0.614 . . . . 62.530000000000001 111.76 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.481 ' C ' ' H ' ' B' ' 112' ' ' THR . 15.0 p -147.18 168.64 21.14 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.885 -1.524 . . . . 61.100000000000001 106.885 175.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 26.24 0.06 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.434 0.635 . . . . 73.209999999999994 112.073 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.481 ' H ' ' C ' ' B' ' 110' ' ' CYS . 10.2 t -154.48 44.08 0.52 Allowed 'General case' 0 N--CA 1.423 -1.777 0 N-CA-C 107.005 -1.48 . . . . 44.229999999999997 107.005 177.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 38.1 ttt180 -59.22 149.83 27.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.156 -0.929 . . . . 72.25 109.265 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 113' ' ' ARG 0.288 1.3 mp0 85.83 -19.14 0.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.955 1.302 . . . . 75.450000000000003 112.207 -171.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t -88.81 66.14 7.9 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 107.221 -1.4 . . . . 74.340000000000003 107.221 172.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.544 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -99.47 123.04 43.39 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.455 -1.683 . . . . 74.200000000000003 106.455 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 p -114.26 -9.5 12.83 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 115.56 -0.745 . . . . 73.430000000000007 112.774 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.42 163.59 33.57 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 111.213 -0.755 . . . . 71.230000000000004 111.213 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.544 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -138.67 144.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 121.567 0.699 . . . . 75.519999999999996 111.688 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.86 114.7 8.58 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.892 -1.049 . . . . 75.400000000000006 109.443 174.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -97.03 108.78 21.58 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 107.039 -1.467 . . . . 74.040000000000006 107.039 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 27' ' ' TYR . 36.0 mt -118.23 129.57 74.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 CA-C-N 114.825 -1.08 . . . . 73.530000000000001 108.338 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 63.8 p 53.4 32.37 13.74 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.769 1.228 . . . . 62.329999999999998 112.066 -177.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.26 -11.17 63.85 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 115.746 -0.661 . . . . 61.350000000000001 113.12 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -95.6 138.69 32.92 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.94 -1.133 . . . . 75.109999999999999 107.94 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.441 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.87 122.1 36.01 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 119.184 -1.007 . . . . 60.119999999999997 109.01 -175.535 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.517 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.6 m-85 -103.74 109.71 21.53 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 115.539 -0.755 . . . . 74.420000000000002 110.065 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.506 ' NH1' ' HA2' ' B' ' 108' ' ' GLY . 65.0 mtt85 -89.89 150.93 21.99 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.651 -0.87 . . . . 75.329999999999998 108.651 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 5' ' ' CYS . 66.7 mt -112.25 125.33 54.04 Favored 'General case' 0 C--N 1.267 -3.001 0 N-CA-C 108.884 -0.784 . . . . 64.319999999999993 108.884 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.8 p -125.72 132.01 52.45 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 106.823 -1.547 . . . . 74.450000000000003 106.823 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -131.53 151.26 51.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 118.699 -1.2 . . . . 55.009999999999998 111.65 -170.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.46 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 16.1 ptm180 . . . . . 0 N--CA 1.426 -1.646 0 CA-C-O 117.938 -1.03 . . . . 74.219999999999999 108.754 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 109.31 -0.626 . . . . 52.030000000000001 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -112.19 110.87 21.37 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 108.434 -0.95 . . . . 73.319999999999993 108.434 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.7 m -122.52 161.16 24.15 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 106.81 -1.552 . . . . 61.32 106.81 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -154.34 153.63 31.97 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.623 0.249 . . . . 74.230000000000004 110.845 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.67 ' SG ' HD21 ' B' ' 129' ' ' LEU . 23.8 m -94.01 106.39 18.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.408 -0.814 . . . . 54.119999999999997 109.048 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 14.2 ptt180 -99.8 147.92 24.97 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 111.054 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.6 p -90.21 5.59 46.4 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.381 0.61 . . . . 71.420000000000002 111.403 -178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -173.25 -108.73 0.22 Allowed Glycine 0 N--CA 1.424 -2.114 0 N-CA-C 110.295 -1.122 . . . . 64.549999999999997 110.295 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HA ' HH11 ' A' ' 6' ' ' ARG . 16.5 ptt180 -100.94 167.6 10.16 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.098 0.475 . . . . 73.010000000000005 111.361 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 13.1 p -136.27 167.05 22.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.35 -1.352 . . . . 63.350000000000001 107.35 173.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 72.2 1.43 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 118.561 0.619 . . . . 72.510000000000005 112.57 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t 178.0 -60.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.79 1.236 . . . . 63.149999999999999 110.742 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 15' ' ' SER . 0.5 OUTLIER 61.69 175.42 0.12 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.901 0.881 . . . . 75.329999999999998 111.123 -172.711 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 69.14 -33.29 0.24 Allowed 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 123.975 0.91 . . . . 75.540000000000006 112.028 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 13' ' ' ARG . 25.1 p -85.45 32.22 0.57 Allowed 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 125.132 1.373 . . . . 75.329999999999998 111.288 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.608 HD21 HG13 ' A' ' 19' ' ' VAL . 4.0 tt -78.27 117.24 19.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.016 -1.846 . . . . 74.299999999999997 106.016 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -109.91 -6.63 15.15 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 114.84 -1.073 . . . . 55.530000000000001 112.145 -172.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.76 163.6 33.35 Favored Glycine 0 N--CA 1.423 -2.221 0 C-N-CA 120.218 -0.992 . . . . 52.039999999999999 111.971 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.608 HG13 HD21 ' A' ' 16' ' ' LEU . 7.4 m -141.69 145.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 123.233 0.613 . . . . 52.210000000000001 111.069 177.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -144.93 121.61 11.15 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.031 -0.986 . . . . 74.25 109.245 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' HD22 ' A' ' 26' ' ' LEU . 44.6 tt0 -97.86 110.65 23.18 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.073 -1.084 . . . . 63.310000000000002 108.073 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -123.25 135.14 64.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 115.164 -0.926 . . . . 72.129999999999995 108.521 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 52.59 31.84 10.72 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.791 1.237 . . . . 73.329999999999998 111.582 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.24 83.86 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.593 -0.731 . . . . 51.409999999999997 113.217 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -107.67 142.47 37.59 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.926 -1.138 . . . . 73.439999999999998 107.926 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 125.95 38.81 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.086 -1.046 . . . . 64.109999999999999 109.424 -176.631 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 78.7 m-85 -107.04 118.56 37.02 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 115.026 -0.988 . . . . 72.140000000000001 110.142 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.3 mtt85 -100.07 152.25 20.44 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-N 115.318 -0.855 . . . . 71.299999999999997 108.863 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.611 HD21 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.69 126.53 54.98 Favored 'General case' 0 C--N 1.268 -2.948 0 N-CA-C 109.177 -0.675 . . . . 62.299999999999997 109.177 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.24 142.02 48.33 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.86 -1.904 . . . . 62.32 105.86 171.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -127.93 148.77 50.51 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 118.609 -1.236 . . . . 72.329999999999998 110.715 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--N 1.308 -1.203 0 CA-C-N 115.612 -0.722 . . . . 75.109999999999999 109.675 -175.874 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.298 -0.26 . . . . 63.329999999999998 110.298 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 88.2 m -132.78 113.14 12.59 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.944 -0.761 . . . . 75.409999999999997 108.944 175.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 11.1 m -130.52 164.05 25.7 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.404 -1.702 . . . . 72.230000000000004 106.404 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 35.0 p90 -157.54 153.4 26.9 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.478 0.581 . . . . 74.310000000000002 112.153 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 29' ' ' LEU . 18.3 m -87.22 102.48 14.52 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.084 -0.962 . . . . 71.540000000000006 110.097 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 11.4 ptt180 -101.81 141.26 34.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.763 0.316 . . . . 74.209999999999994 111.071 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 63.4 p -89.36 5.15 46.4 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.409 0.623 . . . . 71.420000000000002 111.313 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.547 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -162.51 -116.3 0.38 Allowed Glycine 0 N--CA 1.427 -1.959 0 N-CA-C 108.885 -1.686 . . . . 71.329999999999998 108.885 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.442 ' HA ' HH11 ' B' ' 106' ' ' ARG . 40.1 ptt180 -103.08 177.66 4.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.794 -0.817 . . . . 75.109999999999999 108.794 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.441 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 13.5 p -133.27 150.89 51.9 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.031 -0.729 . . . . 64.140000000000001 109.031 175.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.48 78.71 1.93 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.334 0.588 . . . . 73.549999999999997 111.469 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 10.0 t 163.73 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 126.547 1.939 . . . . 73.319999999999993 106.43 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 63.07 -75.19 0.04 OUTLIER 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.27 1.828 . . . . 72.510000000000005 109.844 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 53.02 -86.26 0.01 OUTLIER 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.165 1.786 . . . . 73.019999999999996 114.053 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 34.6 t -145.96 130.63 17.95 Favored 'General case' 0 N--CA 1.414 -2.243 0 CA-C-O 121.185 0.517 . . . . 74.150000000000006 111.584 -172.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.595 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -87.75 116.77 26.13 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.383 -2.451 . . . . 65.349999999999994 104.383 170.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.9 p -107.4 -11.36 15.54 Favored 'General case' 0 C--N 1.273 -2.733 0 N-CA-C 112.969 0.729 . . . . 54.240000000000002 112.969 -172.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.74 163.83 33.71 Favored Glycine 0 N--CA 1.422 -2.257 0 N-CA-C 110.603 -0.999 . . . . 74.019999999999996 110.603 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.595 HG13 HD21 ' B' ' 116' ' ' LEU . 9.6 m -137.02 150.3 26.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 CA-C-O 121.619 0.723 . . . . 62.439999999999998 110.859 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.47 121.14 8.61 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 114.729 -1.123 . . . . 71.430000000000007 109.169 175.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.56 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.6 tm-20 -97.77 119.2 35.93 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.959 -1.126 . . . . 63.009999999999998 107.959 177.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.411 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 30.8 mt -135.87 136.21 50.13 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 N-CA-C 107.144 -1.428 . . . . 75.430000000000007 107.144 -172.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.4 p 53.03 31.45 11.12 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 124.729 1.212 . . . . 72.420000000000002 112.253 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.04 11.54 84.71 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.681 -0.771 . . . . 71.519999999999996 112.574 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -120.53 141.15 50.52 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.769 -1.197 . . . . 71.420000000000002 107.769 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.85 125.97 38.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 119.358 -0.937 . . . . 61.240000000000002 109.013 -176.017 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -108.13 113.99 27.54 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 115.147 -0.933 . . . . 65.239999999999995 110.434 176.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 72.0 mtt85 -96.17 147.07 24.14 Favored 'General case' 0 CA--C 1.475 -1.92 0 N-CA-C 108.223 -1.029 . . . . 74.430000000000007 108.223 176.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.67 HD21 ' SG ' ' A' ' 5' ' ' CYS . 59.3 mt -108.63 120.13 41.55 Favored 'General case' 0 C--N 1.253 -3.606 0 N-CA-C 108.442 -0.947 . . . . 74.409999999999997 108.442 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' B' ' 115' ' ' SER . 24.5 p -116.55 142.46 46.86 Favored 'General case' 0 CA--C 1.48 -1.736 0 N-CA-C 106.713 -1.588 . . . . 61.149999999999999 106.713 172.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.83 145.86 44.96 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 118.687 -1.205 . . . . 72.140000000000001 109.882 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 118.232 -0.89 . . . . 74.319999999999993 110.343 -178.429 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.647 0 N-CA-C 109.687 -0.486 . . . . 60.549999999999997 109.687 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 111.92 11.08 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 109.668 -0.493 . . . . 64.319999999999993 109.668 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.7 m -128.61 167.06 17.71 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 106.666 -1.605 . . . . 62.109999999999999 106.666 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -160.23 157.55 28.42 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 117.856 0.298 . . . . 70.430000000000007 110.813 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.632 ' SG ' HD21 ' B' ' 129' ' ' LEU . 31.0 m -94.72 100.26 12.21 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.001 -0.74 . . . . 61.049999999999997 109.001 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.82 ' HD3' ' SG ' ' A' ' 30' ' ' CYS . 15.8 ptt180 -91.75 147.07 23.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.056 -0.72 . . . . 74.109999999999999 109.056 -178.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.3 p -90.5 4.54 50.83 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 120.838 0.351 . . . . 71.129999999999995 111.906 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.477 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -169.35 -87.3 0.07 OUTLIER Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.495 -0.859 . . . . 64.439999999999998 110.964 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.537 ' C ' ' HD2' ' A' ' 6' ' ' ARG . 39.7 ptt180 -124.95 174.14 8.18 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.357 -0.609 . . . . 71.329999999999998 109.357 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' NH1' ' A' ' 6' ' ' ARG . 23.3 p -146.31 169.77 18.13 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.453 -1.314 . . . . 70.510000000000005 107.453 177.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.0 -25.08 64.33 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.738 -0.468 . . . . 71.420000000000002 109.738 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' THR . 9.6 t -86.84 82.75 7.71 Favored 'General case' 0 N--CA 1.418 -2.028 0 N-CA-C 107.362 -1.347 . . . . 62.25 107.362 169.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -60.94 123.76 18.52 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 114.277 1.214 . . . . 73.129999999999995 114.277 -173.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 59.49 23.57 12.19 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 113.32 -1.764 . . . . 73.530000000000001 115.428 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -83.5 46.3 1.14 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.391 -1.337 . . . . 73.109999999999999 107.391 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 19' ' ' VAL . 3.8 tt -80.11 122.98 27.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 125.376 1.47 . . . . 72.310000000000002 108.267 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -116.91 -7.24 11.43 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.811 -1.086 . . . . 74.430000000000007 112.159 -175.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.21 164.27 34.7 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 110.967 -0.853 . . . . 74.510000000000005 110.967 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.525 HG13 HD21 ' A' ' 16' ' ' LEU . 5.2 m -143.23 153.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.591 0.71 . . . . 72.319999999999993 111.867 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -153.62 117.71 4.81 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 114.706 -1.134 . . . . 70.129999999999995 109.566 175.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.551 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.0 119.37 35.34 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 107.946 -1.131 . . . . 54.5 107.946 178.291 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.411 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 35.0 mt -132.27 126.29 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.191 0 CA-C-N 114.18 -1.373 . . . . 64.230000000000004 108.428 -172.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 54.25 32.53 16.31 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 125.468 1.507 . . . . 53.149999999999999 113.497 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.65 79.13 Favored Glycine 0 C--O 1.239 0.41 0 C-N-CA 121.259 -0.496 . . . . 54.149999999999999 112.892 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -108.83 137.29 46.99 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.482 -0.932 . . . . 75.5 108.482 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.03 116.58 29.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.345 -0.983 . . . . 65.510000000000005 108.345 -176.221 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE2' HD13 ' B' ' 122' ' ' ILE . 83.9 m-85 -96.01 115.05 26.83 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.661 -0.7 . . . . 64.420000000000002 110.113 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 62.5 mtt85 -100.69 141.76 33.11 Favored 'General case' 0 CA--C 1.47 -2.098 0 CA-C-N 115.306 -0.861 . . . . 73.239999999999995 109.385 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.612 HD21 ' SG ' ' B' ' 105' ' ' CYS . 46.5 mt -105.16 113.78 27.58 Favored 'General case' 0 C--N 1.26 -3.32 0 N-CA-C 108.36 -0.978 . . . . 50.240000000000002 108.36 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.82 ' SG ' ' HD3' ' A' ' 6' ' ' ARG . 13.9 p -119.01 125.16 48.72 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.703 -1.221 . . . . 74.239999999999995 107.703 172.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -116.7 152.76 33.63 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.531 -0.914 . . . . 61.140000000000001 108.531 -173.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 . . . . . 0 C--N 1.315 -0.894 0 C-N-CA 119.397 -0.921 . . . . 72.120000000000005 111.664 -174.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.794 0 CA-C-O 120.976 0.417 . . . . 74.109999999999999 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.421 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 94.4 m -128.37 112.69 14.69 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.795 -0.817 . . . . 55.229999999999997 108.795 172.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.11 162.11 18.73 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 106.743 -1.577 . . . . 75.099999999999994 106.743 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -155.25 146.78 23.04 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 120.592 0.234 . . . . 73.409999999999997 110.479 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.612 ' SG ' HD21 ' A' ' 29' ' ' LEU . 31.8 m -84.82 104.15 14.53 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.444 -0.798 . . . . 54.020000000000003 109.665 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.471 HH11 ' HA ' ' B' ' 109' ' ' ARG . 11.1 ptt180 -97.95 144.23 27.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.285 -0.416 . . . . 73.329999999999998 110.533 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -90.05 0.74 56.97 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.408 0.623 . . . . 53.219999999999999 110.644 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -160.31 -108.51 0.24 Allowed Glycine 0 N--CA 1.417 -2.63 0 N-CA-C 109.703 -1.359 . . . . 73.340000000000003 109.703 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.471 ' HA ' HH11 ' B' ' 106' ' ' ARG . 36.1 ptt180 -116.61 178.11 4.45 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.446 0.641 . . . . 73.439999999999998 111.725 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 9.9 p -144.97 169.9 17.18 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 106.225 -1.769 . . . . 62.25 106.225 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.42 -25.42 64.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.95 0.796 . . . . 63.009999999999998 111.181 -172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 12.1 t -85.84 38.43 0.75 Allowed 'General case' 0 CA--C 1.571 1.764 0 CA-C-O 121.641 0.734 . . . . 64.329999999999998 109.065 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -56.11 92.18 0.01 OUTLIER 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.707 1.203 . . . . 74.409999999999997 110.349 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 171.79 -54.08 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 103.912 -2.625 . . . . 74.109999999999999 103.912 -173.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m -82.53 81.5 8.31 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-N 114.75 -1.114 . . . . 63.240000000000002 112.926 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.615 HD21 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -100.89 113.98 27.43 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 105.405 -2.072 . . . . 50.229999999999997 105.405 170.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 39.4 p -107.79 -7.41 16.33 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.827 -0.624 . . . . 73.049999999999997 112.646 -171.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.75 163.52 33.23 Favored Glycine 0 N--CA 1.425 -2.094 0 C-N-CA 120.535 -0.84 . . . . 64.5 111.416 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.615 HG13 HD21 ' B' ' 116' ' ' LEU . 4.5 m -142.12 147.09 21.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 C-N-CA 123.332 0.653 . . . . 71.0 110.866 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 p -145.13 117.89 8.69 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-N 114.8 -1.091 . . . . 73.319999999999993 109.275 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -97.14 108.32 21.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.872 -1.159 . . . . 71.420000000000002 107.872 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.475 HD13 ' CE2' ' A' ' 27' ' ' TYR . 44.1 mt -123.31 131.74 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 CA-C-N 114.5 -1.227 . . . . 74.099999999999994 108.83 -172.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 59.6 p 53.44 32.26 13.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.616 1.166 . . . . 62.409999999999997 111.706 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.07 -17.85 44.12 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.624 -0.716 . . . . 70.230000000000004 113.116 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -93.7 140.61 29.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 108.982 -0.747 . . . . 64.349999999999994 108.982 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.435 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.74 119.21 32.43 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 108.474 -0.935 . . . . 61.219999999999999 108.474 -176.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.411 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 94.4 m-85 -101.68 119.74 39.25 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.368 -0.833 . . . . 61.149999999999999 109.303 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.44 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 59.7 mtt85 -101.58 154.56 18.75 Favored 'General case' 0 CA--C 1.474 -1.957 0 CA-C-N 116.061 -0.518 . . . . 75.230000000000004 109.681 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.632 HD21 ' SG ' ' A' ' 5' ' ' CYS . 51.9 mt -118.08 125.47 50.37 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 115.761 -0.654 . . . . 75.120000000000005 109.35 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.0 p -123.95 141.16 52.28 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.206 -1.405 . . . . 71.549999999999997 107.206 169.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 6.6 t -140.01 150.98 45.09 Favored 'General case' 0 N--CA 1.423 -1.776 0 C-N-CA 118.369 -1.332 . . . . 75.200000000000003 110.597 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.421 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 26.2 ptt180 . . . . . 0 N--CA 1.433 -1.31 0 CA-C-O 118.547 -0.74 . . . . 74.299999999999997 109.833 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 109.926 -0.398 . . . . 63.509999999999998 109.926 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m -125.25 111.96 15.84 Favored 'General case' 0 N--CA 1.423 -1.803 0 N-CA-C 107.911 -1.144 . . . . 72.329999999999998 107.911 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.56 160.79 27.58 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 105.815 -1.92 . . . . 73.340000000000003 105.815 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.467 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 31.9 p90 -153.92 154.85 34.57 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 118.406 0.548 . . . . 72.319999999999993 112.213 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.68 ' SG ' HD21 ' B' ' 129' ' ' LEU . 21.4 m -91.98 110.52 21.88 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.955 -1.021 . . . . 32.409999999999997 109.227 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.504 ' HD3' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -121.21 149.95 42.07 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.358 -0.978 . . . . 73.349999999999994 108.358 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.503 HG21 ' NE ' ' A' ' 25' ' ' ARG . 41.4 p -90.34 11.03 22.63 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 121.269 0.557 . . . . 73.219999999999999 112.374 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -159.4 -115.52 0.41 Allowed Glycine 0 N--CA 1.421 -2.362 0 N-CA-C 110.48 -1.048 . . . . 75.439999999999998 110.48 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HD2' ' CZ ' ' A' ' 13' ' ' ARG . 36.0 ptt180 -105.66 171.52 7.29 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 109.797 -0.446 . . . . 75.340000000000003 109.797 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 30.4 p -141.16 164.25 30.76 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 120.723 -0.391 . . . . 73.430000000000007 110.39 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.24 82.8 1.36 Allowed 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.433 0.635 . . . . 62.030000000000001 112.218 -177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 10.7 t 166.65 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 126.062 1.745 . . . . 54.329999999999998 107.672 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' CZ ' ' HD2' ' A' ' 9' ' ' ARG . 55.9 mmt-85 60.38 -173.97 0.12 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.911 1.284 . . . . 71.230000000000004 111.146 -178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 67.94 -43.04 0.47 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.076 1.88 . . . . 65.209999999999994 116.076 170.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -91.97 90.4 7.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.192 0.52 . . . . 55.210000000000001 111.521 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -100.2 109.53 21.77 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 104.616 -2.365 . . . . 75.340000000000003 104.616 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 p -103.98 -9.53 18.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 115.271 -0.877 . . . . 64.519999999999996 112.8 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.01 164.16 34.05 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 110.999 -0.841 . . . . 65.420000000000002 110.999 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG13 HD21 ' A' ' 16' ' ' LEU . 5.9 m -142.01 145.93 23.4 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.259 0.552 . . . . 74.239999999999995 111.22 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -144.96 119.48 9.7 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.852 -1.067 . . . . 74.310000000000002 109.47 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.25 122.55 40.39 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.709 -1.219 . . . . 63.310000000000002 107.709 178.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -133.72 128.67 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 CA-C-N 114.338 -1.301 . . . . 75.340000000000003 108.003 -172.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.9 p 51.68 32.05 8.76 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 125.697 1.599 . . . . 73.510000000000005 113.428 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.61 72.25 Favored Glycine 0 C--O 1.241 0.562 0 C-N-CA 120.728 -0.748 . . . . 71.439999999999998 112.574 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NE ' HG21 ' A' ' 7' ' ' THR . 61.4 ttt180 -127.69 137.92 52.64 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 106.97 -1.492 . . . . 70.109999999999999 106.97 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.33 120.51 34.68 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.989 -0.684 . . . . 65.25 109.866 -173.813 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 70.4 m-85 -100.91 116.86 33.77 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.771 -0.65 . . . . 74.109999999999999 110.236 174.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 75.3 mtt85 -96.25 152.96 18.09 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.821 -0.807 . . . . 63.130000000000003 108.821 176.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.652 HD21 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.09 133.05 55.8 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.39 -0.967 . . . . 70.420000000000002 108.39 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.11 142.84 48.91 Favored 'General case' 0 CA--C 1.479 -1.776 0 N-CA-C 106.182 -1.785 . . . . 64.129999999999995 106.182 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -133.85 140.06 46.63 Favored 'General case' 0 N--CA 1.414 -2.259 0 C-N-CA 117.948 -1.501 . . . . 74.519999999999996 111.832 -174.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.256 1.408 0 CA-C-N 114.817 -1.083 . . . . 61.149999999999999 109.561 -178.348 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.422 0 CA-C-O 120.74 0.305 . . . . 63.140000000000001 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.4 m -114.46 111.18 21.01 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 108.279 -1.008 . . . . 71.200000000000003 108.279 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 44.9 m -122.02 158.09 29.92 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.212 -1.403 . . . . 31.199999999999999 107.212 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -154.82 146.87 23.63 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.178 0.513 . . . . 60.520000000000003 112.139 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' CYS . . . . . 0.652 ' SG ' HD21 ' A' ' 29' ' ' LEU . 22.8 m -86.13 123.94 31.99 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 114.597 -1.183 . . . . 64.439999999999998 108.332 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' B' ' 106' ' ' ARG . 0.0 OUTLIER -132.98 151.05 52.11 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.392 -0.596 . . . . 62.420000000000002 109.392 178.187 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 38.9 p -85.01 0.12 52.52 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 112.456 0.539 . . . . 71.409999999999997 112.456 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.55 -121.4 0.78 Allowed Glycine 0 N--CA 1.425 -2.096 0 N-CA-C 110.236 -1.145 . . . . 64.040000000000006 110.236 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -98.6 178.37 5.02 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.701 -0.852 . . . . 73.549999999999997 108.701 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 28.1 p -141.91 155.01 45.51 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.361 -0.607 . . . . 71.329999999999998 109.361 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.67 85.89 3.32 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.36 0.6 . . . . 61.119999999999997 111.058 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.7 t 170.37 -39.84 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 125.897 1.679 . . . . 74.519999999999996 106.669 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 53.82 -158.0 0.17 Allowed 'General case' 0 C--N 1.359 1.002 0 CA-C-N 115.191 -0.913 . . . . 74.329999999999998 111.247 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 72.61 -57.64 0.62 Allowed 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 125.421 1.488 . . . . 73.510000000000005 113.532 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.2 t -108.3 88.11 2.65 Favored 'General case' 0 N--CA 1.419 -1.981 0 N-CA-C 113.678 0.992 . . . . 73.319999999999993 113.678 -174.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.403 HD21 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -90.28 112.01 23.4 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 103.323 -2.843 . . . . 70.120000000000005 103.323 166.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 28.9 p -105.24 -9.39 17.71 Favored 'General case' 0 C--N 1.27 -2.864 0 N-CA-C 113.715 1.006 . . . . 51.100000000000001 113.715 -167.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.19 164.34 34.2 Favored Glycine 0 N--CA 1.419 -2.477 0 C-N-CA 120.334 -0.936 . . . . 53.039999999999999 111.066 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.403 HG13 HD21 ' B' ' 116' ' ' LEU . 5.2 m -136.98 144.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 123.157 0.583 . . . . 70.099999999999994 110.29 175.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.5 p -142.99 117.17 9.52 Favored 'General case' 0 C--N 1.278 -2.53 0 CA-C-N 115.253 -0.885 . . . . 43.530000000000001 109.224 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.488 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.51 121.86 39.91 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 107.498 -1.297 . . . . 74.120000000000005 107.498 178.412 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 122' ' ' ILE . . . . . 0.431 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 28.4 mt -134.74 131.72 53.76 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 114.385 -1.279 . . . . 72.519999999999996 107.886 -172.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.6 p 53.47 31.27 11.92 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.176 1.39 . . . . 73.200000000000003 113.287 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.48 71.64 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.079 -0.581 . . . . 24.350000000000001 111.652 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ARG . . . . . 0.474 ' HE ' HG21 ' B' ' 107' ' ' THR . 77.5 ttt180 -131.57 136.16 47.58 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.65 -1.611 . . . . 71.030000000000001 106.65 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -94.16 128.28 40.49 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.207 -0.997 . . . . 75.340000000000003 109.64 -175.101 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 127' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.2 m-85 -111.9 106.69 15.47 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.448 -0.796 . . . . 72.549999999999997 110.237 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.405 ' C ' ' HE ' ' B' ' 106' ' ' ARG . 54.1 mtt85 -86.95 153.77 21.32 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 108.656 -0.868 . . . . 75.230000000000004 108.656 175.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.68 HD21 ' SG ' ' A' ' 5' ' ' CYS . 70.2 mt -115.94 131.73 56.85 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 109.034 -0.728 . . . . 75.319999999999993 109.034 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 28.2 p -133.38 143.47 48.96 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 106.177 -1.786 . . . . 75.120000000000005 106.177 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.1 t -139.13 152.29 47.35 Favored 'General case' 0 N--CA 1.413 -2.303 0 C-N-CA 118.745 -1.182 . . . . 62.329999999999998 110.669 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.421 -1.883 0 CA-C-O 118.066 -0.969 . . . . 71.299999999999997 108.894 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 109.008 -0.738 . . . . 61.35 109.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.495 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 41.1 m -118.52 111.98 19.31 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 108.607 -0.886 . . . . 74.13 108.607 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 m -120.11 163.66 17.35 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.616 -1.253 . . . . 74.12 107.616 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.96 146.76 22.07 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.726 0.298 . . . . 73.04 110.95 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.641 ' SG ' HD21 ' B' ' 129' ' ' LEU . 22.1 m -91.37 106.97 18.88 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.397 -0.819 . . . . 71.44 109.644 -174.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.561 ' NH1' ' HA ' ' A' ' 9' ' ' ARG 0.285 3.0 ppt_? -112.81 143.47 44.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 114.004 1.112 . . . . 61.32 114.004 -179.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 35.7 p -84.73 -7.28 59.27 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.222 -0.899 . . . . 63.5 112.725 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.34 -86.67 0.07 OUTLIER Glycine 0 CA--C 1.474 -2.53 0 C-N-CA 120.165 -1.016 . . . . 51.43 111.055 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.561 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 29.2 ptt180 -136.46 174.63 10.41 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 122.634 0.374 . . . . 73.25 110.093 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 8.3 p -142.87 165.19 28.05 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.718 -0.475 . . . . 73.02 109.718 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.43 82.82 1.45 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.407 0.623 . . . . 63.24 110.909 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 164.76 -20.55 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 126.099 1.76 . . . . 72.43 107.218 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 60.32 -96.41 0.06 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.952 1.464 . . . . 62.22 114.952 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.259 42.1 mt-10 -84.18 77.28 9.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.917 1.342 . . . . 74.4 113.325 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 33.8 t -139.68 25.32 2.38 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.003 -2.221 . . . . 74.34 105.003 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 19' ' ' VAL . 3.9 tt -78.07 113.36 15.93 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 106.607 -1.627 . . . . 61.52 106.607 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -113.4 -4.39 13.63 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.193 -1.367 . . . . 70.34 112.184 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.55 162.3 31.59 Favored Glycine 0 N--CA 1.428 -1.862 0 N-CA-C 111.121 -0.792 . . . . 75.43 111.121 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 16' ' ' LEU . 15.9 m -140.37 150.97 21.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.349 0.595 . . . . 63.41 112.051 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 p -152.44 120.9 6.37 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.912 -1.04 . . . . 64.43 109.206 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.61 120.46 38.04 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.132 -1.027 . . . . 73.14 108.373 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.419 HD12 HD12 ' B' ' 122' ' ' ILE . 17.8 mt -136.75 132.17 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.996 0 CA-C-N 114.153 -1.385 . . . . 72.12 107.61 -173.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 p 53.04 31.99 12.13 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 125.15 1.38 . . . . 61.35 113.511 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.21 -1.63 80.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.629 -0.796 . . . . 41.3 112.043 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -111.16 139.85 46.2 Favored 'General case' 0 CA--C 1.457 -2.632 0 CA-C-O 121.304 0.573 . . . . 72.42 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.57 112.69 24.45 Favored 'General case' 0 C--N 1.263 -3.172 0 N-CA-C 106.909 -1.515 . . . . 55.05 106.909 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' HD13 ' B' ' 122' ' ' ILE . 69.1 m-85 -93.87 102.1 14.21 Favored 'General case' 0 C--N 1.273 -2.758 0 CA-C-O 122.011 0.91 . . . . 73.22 110.796 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.0 mtt85 -91.06 138.18 31.8 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.081 -1.418 . . . . 73.14 108.201 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' SG ' ' B' ' 105' ' ' CYS . 52.4 mt -104.9 127.61 52.79 Favored 'General case' 0 C--N 1.262 -3.221 0 CA-C-N 115.617 -0.72 . . . . 54.31 109.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' SER . 6.9 p -129.73 142.65 50.67 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.582 -1.266 . . . . 71.24 107.582 171.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -137.69 164.06 29.76 Favored 'General case' 0 N--CA 1.418 -2.042 0 C-N-CA 118.794 -1.162 . . . . 72.44 111.002 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 27.3 ptt180 . . . . . 0 C--O 1.257 1.469 0 N-CA-C 108.944 -0.762 . . . . 72.52 108.944 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.09 -0.337 . . . . 62.24 110.09 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.425 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 62.1 m -128.38 113.01 15.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.775 -0.824 . . . . 43.14 108.775 174.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 23.7 m -124.62 166.83 15.42 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 106.15 -1.796 . . . . 74.03 106.15 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -160.1 156.31 26.61 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 117.953 0.342 . . . . 73.51 111.105 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.544 ' SG ' HD11 ' A' ' 29' ' ' LEU . 24.4 m -90.44 116.0 28.03 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.589 -0.732 . . . . 33.12 109.618 -175.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.5 ptt180 -109.79 143.54 39.49 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.656 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 35.8 p -87.29 -3.84 59.05 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.423 0.63 . . . . 73.11 111.31 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . 0.519 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -166.79 -103.9 0.17 Allowed Glycine 0 N--CA 1.419 -2.487 0 N-CA-C 108.748 -1.741 . . . . 62.03 108.748 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.409 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.3 ptt180 -106.29 166.87 10.22 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.345 -0.542 . . . . 74.21 110.998 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.257 1.458 0 N-CA-C 107.598 -1.26 . . . . 74.45 107.598 177.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.429 -1.511 0 N-CA-C 107.411 -1.329 . . . . 63.03 107.411 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.587 HD21 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -99.76 109.29 21.74 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.53 -1.656 . . . . 75.23 106.53 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.0 p -107.22 -9.53 16.08 Favored 'General case' 0 C--N 1.269 -2.91 0 CA-C-N 114.163 -1.381 . . . . 64.55 112.39 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.34 163.93 34.13 Favored Glycine 0 N--CA 1.42 -2.393 0 C-N-CA 120.404 -0.903 . . . . 31.31 111.059 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.587 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -143.09 143.1 25.34 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 123.367 0.667 . . . . 75.03 111.259 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.2 p -144.37 122.02 11.83 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 115.031 -0.986 . . . . 74.23 110.0 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -97.17 114.99 26.75 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.272 -1.381 . . . . 55.02 107.272 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.498 HD13 ' CE2' ' A' ' 27' ' ' TYR . 22.0 mt -135.62 140.47 44.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 107.387 -1.338 . . . . 74.15 107.387 -174.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.9 p 53.76 31.82 13.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.719 1.208 . . . . 70.11 111.744 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.06 8.29 78.33 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.477 -0.783 . . . . 43.44 113.462 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -116.21 146.22 42.5 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 107.735 -1.209 . . . . 74.5 107.735 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.56 123.22 37.86 Favored 'General case' 0 N--CA 1.432 -1.339 0 C-N-CA 118.895 -1.122 . . . . 64.33 109.48 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' B' ' 122' ' ' ILE . 97.6 m-85 -103.97 112.94 26.14 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 115.493 -0.776 . . . . 75.35 109.559 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.7 mtt85 -93.27 153.27 18.68 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 108.953 -0.758 . . . . 54.22 108.953 176.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.641 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.5 mt -112.24 125.35 54.06 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 108.354 -0.98 . . . . 74.23 108.354 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.2 134.55 54.71 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.009 -1.108 . . . . 71.44 108.009 172.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 11.2 t -133.51 159.56 40.04 Favored 'General case' 0 N--CA 1.406 -2.632 0 C-N-CA 119.979 -0.689 . . . . 64.23 109.271 -173.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.425 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 25.8 ptt180 . . . . . 0 N--CA 1.424 -1.764 0 O-C-N 123.527 0.517 . . . . 71.11 110.726 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 109.47 -0.567 . . . . 72.04 109.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m -122.74 112.14 17.57 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.298 -1.001 . . . . 75.34 108.298 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.1 m -122.36 165.26 16.56 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.924 -1.51 . . . . 75.22 106.924 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -158.4 151.4 22.62 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 120.547 0.213 . . . . 72.51 110.904 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.9 m -89.21 105.1 17.57 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 123.939 0.775 . . . . 64.54 109.703 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.1 ptt180 -99.81 154.2 18.52 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.497 . . . . 74.12 110.569 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' ' HD3' ' A' ' 25' ' ' ARG . 60.0 p -97.57 -7.19 31.81 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.368 0.604 . . . . 71.31 111.038 -177.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -155.23 -109.56 0.33 Allowed Glycine 0 N--CA 1.423 -2.223 0 N-CA-C 109.708 -1.357 . . . . 35.34 109.708 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.466 ' HA ' HH11 ' A' ' 6' ' ' ARG . 14.9 ptp180 -107.42 170.87 7.71 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 117.027 0.413 . . . . 34.23 110.779 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 26.1 p -146.77 166.33 26.96 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 122.216 -0.302 . . . . 74.31 110.216 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.17 90.11 1.55 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.568 0.699 . . . . 62.21 111.574 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t 167.73 -39.03 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 126.563 1.945 . . . . 74.45 106.255 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 59.84 136.04 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 N-CA-C 116.674 2.102 . . . . 63.22 116.674 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 69.78 -15.04 0.33 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 115.434 1.642 . . . . 64.53 115.434 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.4 t -77.25 76.36 3.8 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 121.93 0.872 . . . . 34.13 109.175 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -101.2 116.96 34.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 105.619 -1.993 . . . . 74.23 105.619 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 p -108.53 -15.8 14.35 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-N 115.474 -0.784 . . . . 64.24 112.757 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.23 164.39 34.87 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 110.471 -1.052 . . . . 62.02 110.471 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.574 HG13 HD21 ' A' ' 16' ' ' LEU . 12.5 m -139.98 152.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-O 121.603 0.716 . . . . 75.03 111.938 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -148.06 120.03 8.21 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 114.574 -1.194 . . . . 75.51 109.302 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HB2' HD22 ' A' ' 26' ' ' LEU . 2.1 tm-20 -97.41 120.64 38.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.126 -1.064 . . . . 75.51 108.126 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' B' ' 127' ' ' TYR . 24.4 mt -136.72 133.31 48.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-N 114.652 -1.158 . . . . 74.14 107.966 -172.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 53.53 31.07 11.69 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.45 1.5 . . . . 72.3 113.128 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.64 -0.77 88.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.025 -0.607 . . . . 72.01 112.369 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 43.1 ttm180 -111.75 141.31 45.53 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 108.466 -0.939 . . . . 62.35 108.466 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.94 121.79 35.77 Favored 'General case' 0 N--CA 1.427 -1.622 0 N-CA-C 108.53 -0.915 . . . . 71.1 108.53 -177.476 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CE2' HD13 ' B' ' 122' ' ' ILE . 79.5 m-85 -101.6 110.16 22.1 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 115.538 -0.756 . . . . 75.34 110.128 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.48 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.8 mtt85 -92.77 151.19 20.16 Favored 'General case' 0 CA--C 1.474 -1.965 0 CA-C-N 115.143 -0.935 . . . . 65.12 109.183 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.576 HD21 ' SG ' ' B' ' 105' ' ' CYS . 58.7 mt -112.55 126.41 55.32 Favored 'General case' 0 N--CA 1.394 -3.241 0 N-CA-C 108.868 -0.789 . . . . 72.41 108.868 178.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 p -126.52 142.28 51.59 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 106.966 -1.494 . . . . 54.43 106.966 171.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 t -138.65 155.99 47.81 Favored 'General case' 0 N--CA 1.414 -2.26 0 C-N-CA 118.396 -1.322 . . . . 62.23 110.993 -172.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.464 0 CA-C-N 115.368 -0.833 . . . . 70.13 109.45 -178.714 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 110.507 -0.183 . . . . 54.22 110.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.523 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 55.7 m -115.91 112.6 22.12 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.5 -1.296 . . . . 64.25 107.5 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 m -123.38 167.44 13.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.783 -1.192 . . . . 34.43 107.783 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -162.67 150.61 13.98 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 120.749 0.309 . . . . 74.52 111.14 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.576 ' SG ' HD21 ' A' ' 29' ' ' LEU . 27.7 m -85.84 130.0 34.67 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.382 -0.826 . . . . 60.02 108.893 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.563 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 1.1 ppt_? -140.61 138.25 34.26 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-O 121.732 0.777 . . . . 71.14 112.78 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 46.5 p -80.29 -11.75 59.68 Favored 'General case' 0 C--N 1.278 -2.5 0 CA-C-N 114.884 -1.053 . . . . 62.21 112.989 -172.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -146.01 -113.32 0.81 Allowed Glycine 0 CA--C 1.464 -3.096 0 N-CA-C 108.92 -1.672 . . . . 71.52 108.92 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -102.61 178.68 4.51 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 108.66 -0.867 . . . . 64.13 108.66 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.563 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 26.9 p . . . . . 0 C--N 1.306 -1.31 0 N-CA-C 109.81 -0.441 . . . . 71.02 109.81 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 45.8 t . . . . . 0 N--CA 1.429 -1.487 0 N-CA-C 113.758 1.022 . . . . 72.42 113.758 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.464 HD21 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -100.76 106.74 18.18 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 103.947 -2.612 . . . . 74.1 103.947 166.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.6 p -109.99 -5.71 15.37 Favored 'General case' 0 C--N 1.262 -3.222 0 CA-C-N 114.556 -1.202 . . . . 62.44 112.624 -169.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.22 163.78 33.32 Favored Glycine 0 N--CA 1.42 -2.389 0 N-CA-C 110.847 -0.901 . . . . 24.15 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.464 HG13 HD21 ' B' ' 116' ' ' LEU . 6.3 m -141.3 147.13 22.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 123.466 0.706 . . . . 71.2 110.131 175.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.8 p -149.47 117.81 6.46 Favored 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 115.227 -0.897 . . . . 65.32 109.046 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.606 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.4 OUTLIER -97.22 120.91 38.46 Favored 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 107.741 -1.207 . . . . 55.34 107.741 178.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.422 HD13 ' CE2' ' A' ' 27' ' ' TYR . 33.0 mt -133.49 128.17 54.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 114.485 -1.234 . . . . 72.14 108.931 -171.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.2 p 54.02 32.12 14.91 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.201 1.4 . . . . 54.31 113.301 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.23 6.18 71.7 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.803 -0.713 . . . . 50.11 112.742 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.488 ' HD3' HG21 ' B' ' 107' ' ' THR . 38.7 ttm180 -123.01 141.48 51.91 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 108.262 -1.014 . . . . 75.5 108.262 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.1 OUTLIER -93.58 125.41 38.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.366 -0.976 . . . . 55.2 108.366 -175.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 22' ' ' ILE . 82.5 m-85 -107.84 102.38 11.59 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 121.522 0.677 . . . . 73.34 110.642 176.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 64.3 mtt85 -84.41 150.64 25.19 Favored 'General case' 0 CA--C 1.482 -1.663 0 N-CA-C 108.354 -0.98 . . . . 74.04 108.354 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.59 HD21 ' SG ' ' A' ' 5' ' ' CYS . 67.7 mt -110.77 131.46 55.03 Favored 'General case' 0 C--N 1.266 -3.026 0 N-CA-C 109.204 -0.665 . . . . 71.1 109.204 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.558 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 26.4 p -129.22 142.78 50.76 Favored 'General case' 0 CA--C 1.474 -1.954 0 N-CA-C 107.993 -1.114 . . . . 74.23 107.993 173.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.7 t -138.72 163.78 31.27 Favored 'General case' 0 N--CA 1.403 -2.786 0 C-N-CA 119.149 -1.02 . . . . 74.4 110.196 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.523 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 9.3 ptm180 . . . . . 0 C--N 1.294 -1.83 0 C-N-CA 124.076 0.95 . . . . 72.14 109.864 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.534 ' HB3' ' OG ' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 108.677 -0.86 . . . . 74.22 108.677 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.419 ' HB ' ' NE ' ' A' ' 32' ' ' ARG . 33.6 m -122.49 111.9 17.38 Favored 'General case' 0 N--CA 1.425 -1.694 0 C-N-CA 119.777 -0.769 . . . . 64.13 109.068 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.65 166.6 15.84 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 106.896 -1.52 . . . . 74.13 106.896 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -161.25 149.12 15.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 120.619 0.247 . . . . 73.12 110.391 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.664 ' SG ' HD21 ' B' ' 129' ' ' LEU . 34.8 m -88.86 111.51 22.15 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 115.673 -0.694 . . . . 73.24 110.424 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.9 ptt180 -102.99 148.71 25.34 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.926 -0.579 . . . . 75.04 110.337 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.42 HG21 ' HE ' ' A' ' 25' ' ' ARG . 4.9 m -90.78 -2.4 57.79 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.432 -0.804 . . . . 75.22 110.406 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.552 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -169.57 -103.73 0.17 Allowed Glycine 0 N--CA 1.418 -2.525 0 N-CA-C 108.817 -1.713 . . . . 35.34 108.817 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -101.0 168.9 9.31 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.605 -0.438 . . . . 65.21 110.288 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.17 163.75 29.65 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.795 -1.558 . . . . 75.04 106.795 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.46 73.16 1.9 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.462 0.648 . . . . 74.42 112.744 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t 173.16 -50.41 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 125.629 1.572 . . . . 60.52 108.566 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 56.17 -167.76 0.1 Allowed 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.638 0.775 . . . . 72.44 111.335 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 73.18 -51.57 0.71 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.673 1.189 . . . . 75.34 111.067 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.3 t -77.67 75.13 4.22 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-O 121.78 0.8 . . . . 53.0 109.819 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.547 HD21 HG13 ' A' ' 19' ' ' VAL . 4.9 tt -100.68 107.64 19.31 Favored 'General case' 0 N--CA 1.427 -1.601 0 N-CA-C 104.914 -2.254 . . . . 72.24 104.914 171.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 p -106.81 -9.94 16.22 Favored 'General case' 0 C--N 1.263 -3.176 0 CA-C-N 114.661 -1.154 . . . . 72.52 112.731 -169.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.86 164.12 34.08 Favored Glycine 0 N--CA 1.416 -2.643 0 N-CA-C 110.693 -0.963 . . . . 72.33 110.693 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.547 HG13 HD21 ' A' ' 16' ' ' LEU . 15.2 m -141.2 153.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 121.708 0.766 . . . . 75.3 111.213 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -149.58 117.7 6.37 Favored 'General case' 0 C--N 1.277 -2.543 0 CA-C-N 114.615 -1.175 . . . . 64.31 109.608 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.5 119.6 36.35 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.884 -1.154 . . . . 64.05 107.884 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.537 HD13 ' CE2' ' B' ' 127' ' ' TYR . 28.2 mt -129.33 125.2 61.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-N 114.272 -1.331 . . . . 64.23 108.41 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.9 p 54.38 31.59 14.82 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 125.736 1.614 . . . . 72.42 112.913 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 22.53 64.11 Favored Glycine 0 CA--C 1.508 -0.381 0 N-CA-C 111.888 -0.485 . . . . 22.21 111.888 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HE ' HG21 ' A' ' 7' ' ' THR . 43.4 ttt180 -129.78 132.27 46.48 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.264 -1.754 . . . . 51.31 106.264 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.87 128.16 40.0 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.336 -0.946 . . . . 72.54 109.346 -174.199 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.47 115.31 29.41 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.226 -0.897 . . . . 73.05 109.978 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 69.8 mtt85 -96.93 152.74 18.41 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-N 115.454 -0.794 . . . . 74.42 109.126 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.611 HD21 ' SG ' ' B' ' 105' ' ' CYS . 56.3 mt -113.04 123.54 50.54 Favored 'General case' 0 C--N 1.266 -3.056 0 N-CA-C 108.617 -0.883 . . . . 72.34 108.617 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 p -122.17 131.28 53.87 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.617 -1.253 . . . . 54.53 107.617 171.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.3 t -135.61 149.63 49.42 Favored 'General case' 0 N--CA 1.422 -1.862 0 C-N-CA 120.075 -0.65 . . . . 52.0 109.315 -172.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NE ' ' HB ' ' A' ' 2' ' ' THR . 41.7 ptt180 . . . . . 0 C--N 1.312 -1.058 0 C-N-CA 120.737 -0.385 . . . . 72.13 110.451 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.096 -0.335 . . . . 62.4 110.096 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.489 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 91.7 m -118.3 112.18 19.73 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.399 -0.963 . . . . 71.43 108.399 173.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 58.6 m -117.58 159.65 22.54 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.723 -1.214 . . . . 73.54 107.723 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -154.04 144.07 21.96 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.782 0.325 . . . . 73.42 110.785 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.2 m -87.03 114.69 23.85 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.2 -0.909 . . . . 64.32 109.201 -176.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.547 ' NH1' ' HA ' ' B' ' 109' ' ' ARG 0.317 4.0 ppt_? -120.56 134.16 55.31 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 113.907 1.077 . . . . 74.44 113.907 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 23.0 p -80.49 -3.01 48.37 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.332 -1.304 . . . . 74.24 112.823 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 -110.23 0.59 Allowed Glycine 0 CA--C 1.458 -3.504 0 N-CA-C 108.253 -1.939 . . . . 61.24 108.253 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.547 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.9 ptt180 -115.5 177.86 4.51 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.09 0.471 . . . . 74.21 110.216 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.482 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 9.5 p . . . . . 0 C--N 1.293 -1.85 0 N-CA-C 104.928 -2.249 . . . . 74.52 104.928 172.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 38.7 t . . . . . 0 N--CA 1.436 -1.161 0 CA-C-O 121.032 0.444 . . . . 75.41 110.217 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.45 HD21 HG13 ' B' ' 119' ' ' VAL . 3.3 tt -76.28 115.49 16.05 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.906 -1.887 . . . . 64.31 105.906 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 17.8 m -115.04 -8.97 12.42 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.558 -1.656 . . . . 75.24 111.4 -171.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.67 164.44 34.67 Favored Glycine 0 N--CA 1.427 -1.966 0 C-N-CA 120.541 -0.838 . . . . 62.5 111.373 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.45 HG13 HD21 ' B' ' 116' ' ' LEU . 6.7 m -141.11 149.73 20.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 123.467 0.707 . . . . 71.02 110.956 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.02 118.52 6.93 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 114.864 -1.062 . . . . 72.04 109.372 174.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.587 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.57 118.74 34.76 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 107.926 -1.139 . . . . 72.33 107.926 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.32 126.98 66.78 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 114.258 -1.337 . . . . 70.44 108.756 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 64.5 p 52.15 31.66 9.37 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 125.659 1.584 . . . . 54.03 113.292 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.87 18.06 64.2 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.655 -0.783 . . . . 42.3 112.288 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -129.27 135.31 48.61 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.486 -1.301 . . . . 63.35 107.486 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.79 122.73 36.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.09 -0.644 . . . . 72.44 109.93 -173.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.537 ' CE2' HD13 ' A' ' 22' ' ' ILE . 70.4 m-85 -106.07 110.65 22.97 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.515 -0.766 . . . . 73.43 110.552 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.538 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.2 mtt85 -95.79 139.05 32.57 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.752 -0.658 . . . . 72.21 109.349 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.664 HD21 ' SG ' ' A' ' 5' ' ' CYS . 50.3 mt -105.75 114.13 28.1 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-N 115.855 -0.611 . . . . 42.44 110.259 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' B' ' 115' ' ' SER . 4.9 p -112.38 141.12 46.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.355 -0.98 . . . . 72.55 108.355 171.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.7 t -145.06 142.33 29.63 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 119.02 -1.072 . . . . 62.31 111.796 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.489 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 17.2 ptm180 . . . . . 0 C--N 1.304 -1.399 0 CA-C-N 115.357 -0.838 . . . . 71.31 109.928 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.79 0 CA-C-O 120.834 0.35 . . . . 33.13 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.458 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 26.1 m -128.98 112.21 13.81 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.602 -1.629 . . . . 61.13 106.602 172.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.0 m -123.29 160.03 27.54 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.288 -1.745 . . . . 73.31 106.288 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 29.2 p90 -154.55 146.71 23.73 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 118.137 0.426 . . . . 72.1 111.979 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.701 ' SG ' HD21 ' B' ' 129' ' ' LEU . 37.3 m -87.93 101.66 13.96 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.205 -0.907 . . . . 73.51 110.108 -176.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.62 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.3 ppt_? -114.67 142.09 46.94 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 113.436 0.902 . . . . 75.44 113.436 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 25' ' ' ARG . 21.6 p -89.85 0.3 57.12 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.163 -0.926 . . . . 43.43 113.473 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.2 -99.88 0.62 Allowed Glycine 0 CA--C 1.479 -2.212 0 N-CA-C 109.969 -1.253 . . . . 73.32 109.969 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.62 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 12.2 ptp180 -135.29 178.47 7.01 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.351 -0.981 . . . . 75.25 108.351 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 21.1 p -146.7 158.52 43.92 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 120.705 -0.398 . . . . 53.02 110.98 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.38 91.04 1.71 Allowed 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 123.591 0.557 . . . . 73.35 110.303 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 13.2 t 161.45 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 105.082 -2.192 . . . . 74.11 105.082 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 0.276 7.0 mmm180 59.34 -84.27 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.615 2.08 . . . . 63.21 116.615 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.02 78.89 9.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-O 122.223 1.011 . . . . 73.31 109.991 -173.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -153.95 20.51 0.51 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.951 -1.477 . . . . 74.44 108.038 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.503 HD21 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -77.85 111.07 13.3 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 105.221 -2.14 . . . . 73.52 105.221 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 p -113.78 -7.23 13.26 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-N 114.094 -1.412 . . . . 71.11 112.057 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.59 163.57 33.43 Favored Glycine 0 N--CA 1.404 -3.464 0 N-CA-C 110.761 -0.936 . . . . 73.02 110.761 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG13 HD21 ' A' ' 16' ' ' LEU . 11.1 m -139.49 151.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.242 0.544 . . . . 61.02 110.853 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.67 118.68 8.21 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.742 -1.117 . . . . 73.42 108.84 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.94 123.38 40.64 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.438 -1.319 . . . . 64.32 107.438 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.416 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 41.4 mt -135.37 125.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.205 0 CA-C-N 114.624 -1.171 . . . . 70.23 108.843 -172.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.7 p 55.44 31.97 17.99 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 125.627 1.571 . . . . 61.11 113.045 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.45 19.28 64.53 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.852 -0.69 . . . . 53.01 112.232 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HD3' HG21 ' A' ' 7' ' ' THR . 39.7 ttm180 -129.46 134.03 47.6 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 107.592 -1.262 . . . . 71.12 107.592 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 120.42 34.13 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.956 -0.698 . . . . 72.42 109.262 -175.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.587 ' CE2' HD13 ' B' ' 122' ' ' ILE . 73.2 m-85 -101.68 118.18 36.41 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.507 -0.77 . . . . 72.41 110.243 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 57.7 mtt85 -101.17 140.09 35.95 Favored 'General case' 0 CA--C 1.485 -1.542 0 C-N-CA 123.36 0.664 . . . . 72.3 109.21 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.65 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.6 mt -105.62 124.22 49.2 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 115.758 -0.655 . . . . 74.3 110.208 -177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 15' ' ' SER . 14.5 p -133.01 143.6 49.53 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 108.271 -1.011 . . . . 54.42 108.271 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 t -141.65 162.04 36.45 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.208 -0.997 . . . . 74.42 110.888 -170.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 33.1 ptt180 . . . . . 0 C--O 1.257 1.49 0 N-CA-C 109.732 -0.47 . . . . 55.14 109.732 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.898 0 N-CA-C 109.021 -0.733 . . . . 72.53 109.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.8 m -142.63 112.32 6.83 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.825 -0.806 . . . . 73.23 108.825 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 18.3 m -125.6 154.72 41.84 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 106.081 -1.822 . . . . 71.13 106.081 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 40.3 p90 -150.18 143.47 25.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.147 0.795 . . . . 71.14 113.147 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.65 ' SG ' HD21 ' A' ' 29' ' ' LEU . 33.5 m -78.31 106.16 10.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.744 -1.116 . . . . 50.13 109.93 -177.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.531 ' HD2' ' HB2' ' B' ' 128' ' ' ARG . 3.6 ppt_? -118.65 130.99 56.16 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.921 0.867 . . . . 74.24 112.872 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' B' ' 125' ' ' ARG . 30.4 p -74.38 -16.33 60.9 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-N 114.557 -1.201 . . . . 74.4 112.902 -174.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.42 -91.26 0.14 Allowed Glycine 0 CA--C 1.456 -3.612 0 C-N-CA 119.537 -1.316 . . . . 52.24 110.449 -175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -119.82 177.65 4.89 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.39 -0.967 . . . . 65.52 108.39 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.489 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 22.4 p . . . . . 0 C--N 1.3 -1.573 0 CA-C-O 119.72 -0.181 . . . . 75.13 110.727 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 35.1 t . . . . . 0 N--CA 1.406 -2.672 0 N-CA-C 103.768 -2.679 . . . . 54.4 103.768 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.523 HD21 HG13 ' B' ' 119' ' ' VAL . 3.9 tt -77.5 116.67 18.26 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.054 -1.461 . . . . 55.24 107.054 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.2 p -118.17 -7.2 10.82 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.264 -1.334 . . . . 75.43 112.216 -172.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.88 164.02 33.91 Favored Glycine 0 N--CA 1.422 -2.247 0 N-CA-C 110.349 -1.1 . . . . 72.43 110.349 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.523 HG13 HD21 ' B' ' 116' ' ' LEU . 14.1 m -138.67 151.83 24.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.246 0.546 . . . . 73.23 110.57 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.7 p -143.93 112.84 6.69 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 115.273 -0.876 . . . . 74.1 109.509 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.521 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -98.26 121.43 40.17 Favored 'General case' 0 N--CA 1.413 -2.324 0 N-CA-C 108.097 -1.075 . . . . 75.22 108.097 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.587 HD13 ' CE2' ' A' ' 27' ' ' TYR . 18.6 mt -129.81 121.63 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 114.536 -1.211 . . . . 74.32 108.712 -172.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 57.1 p 51.33 32.19 8.08 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.264 1.426 . . . . 75.14 113.946 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 100.71 -10.78 59.19 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.385 -0.436 . . . . 74.44 113.305 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.488 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 62.9 ttt180 -104.73 135.76 45.52 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.771 -0.826 . . . . 75.32 108.771 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.49 123.35 37.86 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.05 -0.66 . . . . 74.42 109.417 -176.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.488 ' OH ' ' HD3' ' B' ' 125' ' ' ARG . 94.4 m-85 -105.96 112.32 25.32 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.683 -0.69 . . . . 63.42 109.525 175.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.531 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 76.7 mtt85 -91.48 142.82 27.24 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 109.374 -0.602 . . . . 64.51 109.374 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.701 HD21 ' SG ' ' A' ' 5' ' ' CYS . 71.3 mt -105.74 126.12 51.79 Favored 'General case' 0 C--N 1.272 -2.769 0 N-CA-C 109.347 -0.612 . . . . 71.03 109.347 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' B' ' 115' ' ' SER . 22.7 p -126.07 142.43 51.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.192 -1.41 . . . . 74.05 107.192 172.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 27.3 t -142.28 152.4 42.97 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.285 -0.966 . . . . 73.13 110.818 -172.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.424 ' HG3' ' OXT' ' B' ' 132' ' ' ARG . 26.5 ptt180 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 118.596 -0.716 . . . . 75.23 109.116 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.292 -0.633 . . . . 74.23 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m -120.85 111.46 17.58 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.413 -0.958 . . . . 70.21 108.413 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.2 m -123.39 164.0 19.71 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.473 -0.936 . . . . 53.53 108.473 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -157.79 144.4 17.82 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 122.508 0.323 . . . . 74.54 110.214 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.631 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.8 m -88.65 119.98 29.61 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.824 -0.626 . . . . 71.41 109.423 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.596 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.2 ppt_? -129.1 135.32 48.73 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 113.397 0.888 . . . . 73.43 113.397 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 42.4 p -82.22 -11.46 58.67 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.061 -0.972 . . . . 75.21 112.303 -173.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.411 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -131.61 -119.22 2.06 Favored Glycine 0 CA--C 1.456 -3.605 0 N-CA-C 108.78 -1.728 . . . . 54.53 108.78 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.596 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 18.3 ptp180 -107.89 177.97 4.66 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 109.292 -0.632 . . . . 71.13 109.292 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 14.2 p -138.29 160.54 39.22 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.491 -0.929 . . . . 64.43 108.491 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.13 79.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 63.24 112.087 -174.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 169.07 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.432 1.493 . . . . 64.13 107.821 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 66.51 -75.42 0.06 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.131 0.972 . . . . 71.3 112.764 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.78 87.1 3.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.69 0.757 . . . . 72.43 110.158 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 40.7 t -166.65 14.39 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.175 -1.375 . . . . 64.02 108.117 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.76 112.92 16.38 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 106.977 -1.49 . . . . 63.43 106.977 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB3' ' HB3' ' B' ' 101' ' ' ALA . 25.7 p -116.76 -4.45 11.63 Favored 'General case' 0 C--N 1.27 -2.86 0 CA-C-N 113.952 -1.477 . . . . 44.13 112.294 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 163.95 34.16 Favored Glycine 0 N--CA 1.418 -2.565 0 C-N-CA 120.178 -1.01 . . . . 64.22 111.81 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.441 HG13 HD21 ' A' ' 16' ' ' LEU . 9.2 m -143.32 147.31 20.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 123.292 0.637 . . . . 75.2 111.008 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -146.96 119.5 8.49 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 114.875 -1.057 . . . . 74.15 109.269 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.45 122.61 40.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.847 -1.168 . . . . 63.3 107.847 178.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.466 HD13 ' CE2' ' B' ' 127' ' ' TYR . 31.8 mt -130.16 120.94 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 114.541 -1.208 . . . . 73.15 108.916 -172.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.4 p 52.93 33.1 13.82 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.814 1.246 . . . . 72.54 113.594 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 -11.47 68.46 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.213 -0.448 . . . . 65.21 112.514 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HE ' HG21 ' A' ' 7' ' ' THR . 75.1 ttt180 -103.33 132.25 49.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.072 -1.084 . . . . 60.13 108.072 -174.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -93.55 125.21 38.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.198 -0.667 . . . . 73.34 109.198 -174.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CE2' HD13 ' B' ' 122' ' ' ILE . 67.6 m-85 -106.31 111.6 24.25 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 123.157 0.583 . . . . 62.3 110.9 176.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.4 mtt85 -93.76 143.66 26.12 Favored 'General case' 0 CA--C 1.48 -1.714 0 CA-C-N 115.44 -0.8 . . . . 60.12 108.876 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.626 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.4 mt -108.22 127.89 54.23 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 109.079 -0.711 . . . . 72.44 109.079 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 15' ' ' SER . 8.7 p -129.18 142.51 50.84 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 108.177 -1.045 . . . . 45.4 108.177 171.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 t -147.3 153.71 40.06 Favored 'General case' 0 N--CA 1.416 -2.162 0 C-N-CA 119.184 -1.006 . . . . 74.13 111.274 -168.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 . . . . . 0 C--O 1.255 1.392 0 CA-C-N 115.496 -0.775 . . . . 74.44 109.393 177.464 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 109.044 -0.725 . . . . 72.35 109.044 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 52.6 m -124.97 111.49 15.47 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.283 -1.006 . . . . 73.14 108.283 175.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.6 m -123.94 156.09 36.98 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.304 -1.369 . . . . 74.03 107.304 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -151.81 151.15 30.96 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 120.504 0.192 . . . . 72.53 110.579 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.626 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.4 m -94.64 109.67 21.57 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.881 0.738 . . . . 62.42 110.63 -174.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.553 ' HD3' ' C ' ' B' ' 109' ' ' ARG . 7.1 ptt180 -98.88 147.7 24.68 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.958 0.409 . . . . 65.23 111.525 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.3 p -96.07 5.25 51.56 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.638 -0.71 . . . . 65.25 111.589 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -172.74 -75.54 0.05 OUTLIER Glycine 0 N--CA 1.42 -2.375 0 N-CA-C 110.221 -1.152 . . . . 11.4 110.221 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.553 ' C ' ' HD3' ' B' ' 106' ' ' ARG . 16.6 ptp180 -132.07 162.73 30.09 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.657 0.265 . . . . 64.22 111.441 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 0.978 0 N-CA-C 109.213 -0.662 . . . . 74.34 109.213 -178.757 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 30.5 t . . . . . 0 N--CA 1.426 -1.672 0 N-CA-C 106.831 -1.544 . . . . 62.5 106.831 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.447 HD21 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -78.8 123.42 27.18 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.278 -1.749 . . . . 71.0 106.278 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . 0.48 ' HB3' ' HB3' ' A' ' 1' ' ' ALA . 16.1 p -125.64 -1.72 7.37 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 114.988 -1.006 . . . . 75.52 112.866 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.73 163.58 33.35 Favored Glycine 0 N--CA 1.428 -1.836 0 N-CA-C 110.646 -0.981 . . . . 73.24 110.646 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.447 HG13 HD21 ' B' ' 116' ' ' LEU . 12.4 m -143.28 145.71 22.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 CA-C-O 121.166 0.508 . . . . 70.21 111.046 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.6 p -143.31 124.45 14.51 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 115.263 -0.88 . . . . 75.33 109.648 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.3 118.94 36.09 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 108.091 -1.077 . . . . 74.11 108.091 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.442 HD13 ' CE2' ' A' ' 27' ' ' TYR . 48.0 mt -127.91 123.29 60.5 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.198 0 CA-C-N 114.196 -1.365 . . . . 71.25 108.293 -172.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.9 p 53.04 31.7 11.6 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 125.11 1.364 . . . . 61.33 112.546 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.22 -1.13 87.58 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.051 -0.595 . . . . 71.34 112.236 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -106.82 136.94 45.78 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.89 -1.152 . . . . 72.45 107.89 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.76 123.2 38.07 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 119.832 -0.747 . . . . 74.42 110.956 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.466 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.5 m-85 -105.46 112.71 25.91 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 114.963 -1.017 . . . . 75.55 110.382 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.512 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.0 mtt85 -95.55 142.96 27.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.64 -0.874 . . . . 71.41 108.64 177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.631 HD21 ' SG ' ' A' ' 5' ' ' CYS . 61.3 mt -105.06 123.56 48.02 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 109.351 -0.611 . . . . 73.21 109.351 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.498 ' SG ' ' NE ' ' B' ' 106' ' ' ARG . 61.6 m -110.79 131.62 54.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.025 -1.842 . . . . 71.2 106.025 174.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 14.6 t -141.98 148.19 38.17 Favored 'General case' 0 N--CA 1.416 -2.156 0 C-N-CA 118.307 -1.357 . . . . 75.34 111.944 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.42 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 15.6 ptm180 . . . . . 0 N--CA 1.415 -2.186 0 CA-C-N 114.456 -1.247 . . . . 74.51 108.049 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 109.507 -0.553 . . . . 71.23 109.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -113.74 110.83 20.79 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.742 -1.577 . . . . 73.11 106.742 174.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' B' ' 117' ' ' SER . 11.2 m -128.0 167.15 17.1 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.975 -1.12 . . . . 71.13 107.975 -174.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -159.36 155.62 27.07 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 110.098 -0.334 . . . . 74.23 110.098 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.632 ' SG ' HD21 ' B' ' 129' ' ' LEU . 24.8 m -92.21 111.47 23.05 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.157 -0.683 . . . . 63.45 109.157 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.51 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.2 ptt180 -103.34 148.08 26.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.621 -0.263 . . . . 75.11 110.677 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 p -94.38 7.1 46.67 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.616 0.722 . . . . 72.34 111.117 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -168.0 -122.54 0.62 Allowed Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.6 -1.4 . . . . 62.22 109.6 -176.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HA ' HH11 ' A' ' 6' ' ' ARG . 24.4 ptt180 -98.15 173.31 7.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 117.186 0.493 . . . . 75.1 110.568 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -146.42 169.4 18.95 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.935 -1.876 . . . . 62.12 105.935 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.05 7.3 1.7 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.737 0.78 . . . . 53.51 112.16 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -133.79 37.87 3.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 105.955 -1.868 . . . . 74.32 105.955 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 3.0 tmm_? -46.36 -44.01 16.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.804 2.042 . . . . 54.42 112.834 -173.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.51 -34.13 68.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.887 0.375 . . . . 50.1 111.207 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -80.01 79.12 6.59 Favored 'General case' 0 N--CA 1.419 -1.988 0 CA-C-O 121.899 0.857 . . . . 53.55 110.532 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.719 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -99.54 112.83 24.98 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 104.606 -2.368 . . . . 63.03 104.606 172.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' B' ' 101' ' ' ALA . 50.2 p -101.55 -21.07 14.82 Favored 'General case' 0 C--N 1.272 -2.761 0 CA-C-N 115.205 -0.907 . . . . 70.24 112.176 -172.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.84 163.99 37.43 Favored Glycine 0 N--CA 1.419 -2.451 0 N-CA-C 110.286 -1.126 . . . . 71.25 110.286 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.719 HG13 HD21 ' A' ' 16' ' ' LEU . 3.0 m -139.42 147.77 24.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-O 121.215 0.531 . . . . 64.23 112.011 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.0 p -147.99 111.58 5.01 Favored 'General case' 0 C--N 1.277 -2.553 0 CA-C-N 114.583 -1.19 . . . . 71.11 108.708 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HB2' HD22 ' A' ' 26' ' ' LEU . 40.5 tt0 -96.75 110.96 23.32 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 107.588 -1.264 . . . . 65.33 107.588 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.508 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.0 mt -122.74 133.85 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-N 114.737 -1.12 . . . . 72.31 108.134 -172.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 p 54.86 33.22 19.39 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 124.874 1.27 . . . . 74.04 111.867 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.41 86.82 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.861 -0.609 . . . . 61.31 113.332 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -112.08 137.29 50.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.302 -1.369 . . . . 64.14 107.302 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.1 116.92 29.5 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 119.141 -1.023 . . . . 70.54 108.423 -174.206 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 91.5 m-85 -97.16 104.83 16.88 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 115.364 -0.835 . . . . 72.13 109.45 175.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 56.8 mtt85 -91.01 151.04 21.2 Favored 'General case' 0 CA--C 1.48 -1.721 0 CA-C-N 115.281 -0.872 . . . . 72.33 108.945 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD21 ' SG ' ' B' ' 105' ' ' CYS . 53.2 mt -111.57 121.92 46.43 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 108.903 -0.777 . . . . 60.1 108.903 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.24 142.17 51.46 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 107.17 -1.419 . . . . 74.3 107.17 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.5 t -134.77 148.18 50.17 Favored 'General case' 0 N--CA 1.408 -2.538 0 C-N-CA 117.936 -1.506 . . . . 74.4 112.535 -170.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 . . . . . 0 C--N 1.302 -1.498 0 C-N-CA 124.99 1.316 . . . . 73.35 109.149 178.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 109.32 -0.622 . . . . 73.1 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 99.3 m -113.72 113.62 25.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 109.562 -0.533 . . . . 74.45 109.562 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -137.55 168.73 19.08 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.181 -1.044 . . . . 71.11 108.181 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.427 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 31.2 p90 -164.5 153.17 12.85 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.79 0.436 . . . . 62.05 110.222 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.571 ' SG ' HD21 ' A' ' 29' ' ' LEU . 32.2 m -88.61 106.11 18.1 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 123.668 0.605 . . . . 60.12 109.92 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.3 ptt180 -97.42 147.45 24.2 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 116.072 -0.513 . . . . 61.23 111.353 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.0 p -91.82 2.21 56.66 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.577 0.704 . . . . 55.1 111.391 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . 0.502 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -170.98 -105.37 0.18 Allowed Glycine 0 N--CA 1.419 -2.449 0 N-CA-C 109.736 -1.346 . . . . 54.25 109.736 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -101.91 174.87 5.75 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.849 -0.426 . . . . 72.21 109.849 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.427 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 24.1 p . . . . . 0 CA--C 1.495 -1.142 0 N-CA-C 107.897 -1.149 . . . . 53.21 107.897 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.433 -1.282 0 CA-C-O 121.457 0.646 . . . . 73.42 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.517 HD21 HG13 ' B' ' 119' ' ' VAL . 4.6 tt -101.59 112.73 25.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.307 -2.108 . . . . 53.53 105.307 169.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . 0.435 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 26.4 p -107.0 -14.35 14.96 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-N 115.613 -0.721 . . . . 74.2 112.861 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.36 164.41 34.83 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 110.886 -0.885 . . . . 63.52 110.886 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.517 HG13 HD21 ' B' ' 116' ' ' LEU . 4.8 m -139.53 150.93 22.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.356 0.598 . . . . 72.23 111.545 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.3 p -150.46 121.21 7.54 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 114.731 -1.122 . . . . 71.51 109.747 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.532 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.3 OUTLIER -97.86 122.71 41.29 Favored 'General case' 0 N--CA 1.417 -2.102 0 N-CA-C 107.426 -1.324 . . . . 74.51 107.426 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.412 HD13 ' CE2' ' A' ' 27' ' ' TYR . 41.5 mt -129.02 121.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-N 114.823 -1.081 . . . . 74.52 109.503 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 69.1 p 48.49 32.15 3.22 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 126.407 1.883 . . . . 72.43 114.826 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 106.02 -5.9 39.73 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.734 -0.746 . . . . 33.32 113.244 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -116.33 138.69 51.12 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 117.435 0.617 . . . . 73.1 110.043 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.82 118.87 32.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.714 -0.847 . . . . 71.1 108.714 -177.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 22' ' ' ILE . 76.3 m-85 -100.36 121.5 41.6 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.419 -0.81 . . . . 75.33 110.775 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.6 mtt85 -100.19 152.7 19.97 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.002 -0.74 . . . . 74.23 109.002 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.632 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.2 mt -112.52 129.24 56.42 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 108.407 -0.96 . . . . 62.11 108.407 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.77 135.16 46.57 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 109.439 -0.578 . . . . 70.5 109.439 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 83.4 m -115.26 140.12 49.37 Favored 'General case' 0 N--CA 1.417 -2.098 0 CA-C-N 115.773 -0.649 . . . . 74.4 111.273 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 C--N 1.297 -1.705 0 C-N-CA 125.405 1.482 . . . . 73.45 110.225 -175.425 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 110.126 -0.324 . . . . 71.11 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.7 m -116.95 110.63 18.53 Favored 'General case' 0 N--CA 1.424 -1.735 0 N-CA-C 107.812 -1.181 . . . . 65.24 107.812 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 m -125.95 154.77 42.37 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 106.222 -1.77 . . . . 63.43 106.222 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -152.69 151.0 30.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 118.334 0.515 . . . . 72.41 110.98 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.6 m -87.36 106.31 17.86 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.066 -0.97 . . . . 75.05 109.176 -176.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.503 HH11 ' HA ' ' A' ' 9' ' ' ARG . 10.8 ptt180 -97.98 141.64 30.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.828 0.347 . . . . 70.33 111.068 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.0 p -88.86 6.28 39.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.929 -0.578 . . . . 60.21 111.675 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.76 -96.34 0.1 Allowed Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 110.192 -1.163 . . . . 31.14 110.192 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HA ' HH11 ' A' ' 6' ' ' ARG . 34.0 ptt180 -124.57 170.69 10.67 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.11 0.481 . . . . 72.05 111.119 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.75 169.34 17.79 Favored 'General case' 0 N--CA 1.417 -2.121 0 N-CA-C 104.348 -2.464 . . . . 73.24 104.348 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.68 61.82 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 119.171 0.896 . . . . 74.44 110.563 -173.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 12' ' ' THR . 8.0 t -113.82 89.31 3.05 Favored 'General case' 0 N--CA 1.406 -2.631 0 CA-C-O 122.23 1.014 . . . . 71.45 110.321 174.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 74.41 108.558 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -51.43 -36.92 45.99 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.613 1.565 . . . . 62.2 112.216 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.701 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 48.9 m -79.89 19.94 0.65 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.58 0.955 . . . . 75.42 113.58 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HB2' ' NH2' ' A' ' 6' ' ' ARG . 4.2 tt -76.83 115.44 16.61 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 105.442 -2.058 . . . . 62.44 105.442 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.2 p -122.56 -2.53 8.9 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 114.566 -1.197 . . . . 63.02 112.521 -171.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.63 162.43 31.72 Favored Glycine 0 N--CA 1.42 -2.398 0 N-CA-C 110.549 -1.02 . . . . 63.21 110.549 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.469 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.5 m -141.44 149.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.326 0.584 . . . . 61.54 111.363 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -146.1 121.79 10.5 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 114.838 -1.073 . . . . 63.52 109.546 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.492 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -97.41 122.45 40.48 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 107.819 -1.178 . . . . 74.25 107.819 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.423 HD13 ' CE2' ' B' ' 127' ' ' TYR . 27.1 mt -136.95 128.84 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.861 0 CA-C-N 114.517 -1.22 . . . . 74.22 108.448 -173.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.8 p 54.07 32.36 15.5 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.288 1.435 . . . . 74.04 113.335 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.51 10.45 76.9 Favored Glycine 0 C--O 1.24 0.478 0 C-N-CA 120.784 -0.722 . . . . 62.13 112.391 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -123.04 137.98 54.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.794 -0.817 . . . . 63.45 108.794 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.37 117.35 29.99 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.538 -0.912 . . . . 72.53 108.538 -178.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 84.6 m-85 -97.15 118.69 34.14 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.434 -0.803 . . . . 71.3 109.681 177.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 61.2 mtt85 -100.27 145.5 28.03 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.768 -0.651 . . . . 63.44 109.292 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.675 HD21 ' SG ' ' B' ' 105' ' ' CYS . 55.8 mt -108.47 115.59 30.38 Favored 'General case' 0 C--N 1.268 -2.949 0 N-CA-C 108.838 -0.801 . . . . 73.02 108.838 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 15' ' ' SER . 16.0 p -116.37 117.87 31.15 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 109.253 -0.647 . . . . 53.33 109.253 172.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.52 143.34 39.31 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 115.722 -0.672 . . . . 72.22 111.152 -172.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 . . . . . 0 C--O 1.256 1.425 0 CA-C-N 115.117 -0.947 . . . . 75.42 109.327 -177.848 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 120.75 0.31 . . . . 62.54 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' B' ' 132' ' ' ARG . 93.5 m -139.79 112.69 8.06 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.988 -0.745 . . . . 73.43 108.988 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 m -126.23 166.34 17.26 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 106.459 -1.682 . . . . 74.14 106.459 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -158.11 154.75 27.99 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 118.16 0.436 . . . . 74.24 110.95 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.675 ' SG ' HD21 ' A' ' 29' ' ' LEU . 29.7 m -91.29 102.11 14.82 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 123.859 0.724 . . . . 63.41 109.142 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.51 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.0 ptt180 -91.71 140.31 29.83 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.071 0.462 . . . . 62.21 111.045 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.4 p -89.06 22.44 2.76 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.699 -0.682 . . . . 74.12 111.07 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 175.84 -113.06 0.42 Allowed Glycine 0 N--CA 1.426 -2.028 0 N-CA-C 110.472 -1.051 . . . . 65.0 110.472 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.51 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.8 ptt180 -106.94 175.05 5.63 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.719 -0.474 . . . . 74.54 109.719 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.296 -1.741 0 N-CA-C 107.432 -1.321 . . . . 75.33 107.432 172.388 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.43 -1.447 0 N-CA-C 114.406 1.261 . . . . 60.4 114.406 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.588 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -101.19 116.27 32.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.674 -1.973 . . . . 62.41 105.674 170.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 9.8 p -104.19 -16.81 15.11 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 113.409 0.892 . . . . 73.22 113.409 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.64 164.12 34.22 Favored Glycine 0 N--CA 1.42 -2.378 0 N-CA-C 110.579 -1.008 . . . . 72.12 110.579 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.588 HG13 HD21 ' B' ' 116' ' ' LEU . 5.5 m -139.13 151.53 23.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.258 0.551 . . . . 72.22 111.694 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 p -148.65 116.7 6.4 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.746 -1.116 . . . . 71.43 109.45 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.564 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.08 121.13 38.62 Favored 'General case' 0 CA--C 1.474 -1.944 0 N-CA-C 107.602 -1.259 . . . . 72.54 107.602 179.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.524 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 25.8 mt -135.32 129.11 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 CA-C-N 114.665 -1.152 . . . . 74.43 108.285 -172.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 55.1 p 53.42 32.0 13.13 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 124.933 1.293 . . . . 74.34 113.425 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.71 0.15 75.91 Favored Glycine 0 CA--C 1.507 -0.461 0 C-N-CA 121.168 -0.539 . . . . 52.21 112.86 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.432 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.6 ttm180 -116.05 139.49 50.23 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 108.912 -0.773 . . . . 73.03 108.912 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.0 115.33 27.65 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 108.684 -0.858 . . . . 64.31 108.684 -177.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' B' ' 125' ' ' ARG . 90.8 m-85 -95.71 111.9 23.75 Favored 'General case' 0 C--N 1.278 -2.542 0 CA-C-N 115.808 -0.633 . . . . 64.04 109.837 177.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.42 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 62.5 mtt85 -95.88 151.86 19.02 Favored 'General case' 0 CA--C 1.474 -1.964 0 CA-C-N 115.77 -0.65 . . . . 71.51 109.813 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.564 HD21 ' SG ' ' A' ' 5' ' ' CYS . 47.6 mt -113.23 122.67 48.17 Favored 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 108.477 -0.934 . . . . 73.4 108.477 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 129.09 45.32 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 106.677 -1.601 . . . . 52.53 106.677 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 9.2 t -112.45 164.04 13.74 Favored 'General case' 0 C--N 1.277 -2.545 0 C-N-CA 119.357 -0.937 . . . . 40.12 110.148 -171.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' B' ' 102' ' ' THR . 15.7 ptm180 . . . . . 0 C--N 1.307 -1.272 0 CA-C-O 118.535 -0.745 . . . . 73.35 109.664 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 108.845 -0.798 . . . . 62.05 108.845 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 111.85 14.41 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 119.993 -0.683 . . . . 53.22 109.439 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 m -122.72 166.97 14.07 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.773 -1.566 . . . . 73.42 106.773 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -155.42 144.67 20.94 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.538 0.209 . . . . 75.45 110.964 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' B' ' 129' ' ' LEU . 18.3 m -94.38 108.05 19.98 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.911 -0.774 . . . . 74.11 108.911 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -125.9 159.9 31.34 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.663 -0.815 . . . . 75.12 110.888 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.461 HG21 ' NE ' ' A' ' 25' ' ' ARG . 24.6 p -98.68 8.2 45.21 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 112.534 0.568 . . . . 64.32 112.534 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.76 -157.97 7.38 Favored Glycine 0 N--CA 1.419 -2.448 0 C-N-CA 120.202 -0.999 . . . . 60.01 111.43 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -97.46 164.25 12.52 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 109.684 -0.487 . . . . 65.01 109.684 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.22 148.1 47.56 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 120.61 -0.436 . . . . 73.44 110.15 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 81.37 1.03 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.066 0.936 . . . . 60.14 111.945 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 t 173.72 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.373 -1.74 . . . . 74.24 107.046 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 15' ' ' SER . 30.4 mmm180 58.0 -177.39 0.07 Allowed 'General case' 0 C--N 1.364 1.201 0 CA-C-N 115.282 -0.872 . . . . 74.23 110.857 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 69.82 -26.2 0.15 Allowed 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 124.095 0.958 . . . . 74.25 112.6 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 35.3 t -79.91 6.22 11.79 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 124.501 1.121 . . . . 42.01 113.087 -174.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 19' ' ' VAL . 3.5 tt -77.74 114.96 17.11 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.053 -1.832 . . . . 64.21 106.053 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 p -111.7 -19.83 12.33 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-N 114.108 -1.405 . . . . 51.55 111.823 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.13 164.37 37.41 Favored Glycine 0 N--CA 1.421 -2.308 0 N-CA-C 110.192 -1.163 . . . . 44.22 110.192 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 16' ' ' LEU . 18.9 m -136.31 157.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.116 0.484 . . . . 71.14 110.884 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.4 p -147.46 122.71 10.24 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 114.993 -1.003 . . . . 61.54 109.432 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.86 121.62 39.99 Favored 'General case' 0 N--CA 1.415 -2.176 0 N-CA-C 108.03 -1.1 . . . . 52.1 108.03 177.348 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -134.36 128.89 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.057 0 CA-C-N 114.238 -1.346 . . . . 75.34 107.765 -175.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p 55.93 31.46 17.88 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.308 1.443 . . . . 74.34 112.727 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.09 11.03 84.86 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.163 -0.542 . . . . 55.45 112.134 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' NE ' HG21 ' A' ' 7' ' ' THR . 40.7 ttt180 -120.48 135.51 55.04 Favored 'General case' 0 N--CA 1.421 -1.898 0 N-CA-C 106.711 -1.588 . . . . 64.53 106.711 -177.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.12 123.13 37.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.88 -0.728 . . . . 72.02 109.6 -174.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CE2' HD13 ' B' ' 122' ' ' ILE . 87.3 m-85 -103.98 117.03 33.34 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 115.428 -0.805 . . . . 65.15 110.294 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -96.14 142.94 27.72 Favored 'General case' 0 CA--C 1.48 -1.744 0 N-CA-C 108.847 -0.797 . . . . 74.34 108.847 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.686 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.3 mt -108.69 108.08 18.8 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-N 115.736 -0.665 . . . . 55.4 109.462 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 15' ' ' SER 0.27 27.8 p -114.9 142.35 46.71 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.662 -0.866 . . . . 72.24 108.662 172.081 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -138.91 164.58 29.31 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.768 -0.773 . . . . 71.25 112.247 -164.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.962 -0.755 . . . . 65.22 108.962 177.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 120.706 0.289 . . . . 65.31 110.649 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.56 ' HB ' ' HG2' ' B' ' 132' ' ' ARG . 61.5 m -131.27 111.82 12.23 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.887 -1.153 . . . . 50.13 107.887 171.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.0 m -120.11 159.87 23.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.162 -1.422 . . . . 64.12 107.162 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.72 148.47 22.69 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.881 0.372 . . . . 73.35 110.853 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.686 ' SG ' HD21 ' A' ' 29' ' ' LEU . 37.4 m -85.76 127.5 34.55 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.156 -0.929 . . . . 72.45 110.234 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.53 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -136.77 142.85 43.0 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 121.09 0.471 . . . . 75.55 112.19 178.006 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 72.4 p -76.57 -8.61 57.56 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 113.873 1.064 . . . . 73.13 113.873 -171.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . 0.405 ' HA2' HH11 ' B' ' 128' ' ' ARG . . . -160.68 -65.73 0.02 OUTLIER Glycine 0 CA--C 1.469 -2.841 0 C-N-CA 119.369 -1.396 . . . . 72.45 111.58 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -135.24 178.16 7.25 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 120.314 -0.554 . . . . 72.1 109.789 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.53 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.5 p . . . . . 0 C--N 1.299 -1.595 0 N-CA-C 107.814 -1.18 . . . . 55.34 107.814 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 34.0 t . . . . . 0 N--CA 1.425 -1.704 0 N-CA-C 112.34 0.496 . . . . 51.22 112.34 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.492 HD21 HG13 ' B' ' 119' ' ' VAL . 4.3 tt -84.39 111.4 19.41 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 103.63 -2.73 . . . . 72.23 103.63 167.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.7 p -103.73 -11.0 17.89 Favored 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 115.029 -0.987 . . . . 64.32 113.326 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.58 164.49 34.81 Favored Glycine 0 CA--C 1.476 -2.391 0 C-N-CA 119.719 -1.229 . . . . 64.2 111.059 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.492 HG13 HD21 ' B' ' 116' ' ' LEU . 15.4 m -141.12 143.46 28.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 121.476 0.655 . . . . 62.4 110.891 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 4.0 p -142.53 122.24 13.42 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 114.814 -1.084 . . . . 53.33 109.555 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.65 123.67 41.65 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.523 -1.288 . . . . 74.22 107.523 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' A' ' 27' ' ' TYR . 40.5 mt -135.95 128.97 47.11 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.158 0 N-CA-C 107.751 -1.203 . . . . 75.5 107.751 -173.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 71.7 p 52.35 32.04 10.46 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.391 1.476 . . . . 60.23 113.383 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 16.82 73.18 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 120.79 -0.719 . . . . 71.04 112.019 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.47 ' CZ ' HG21 ' B' ' 107' ' ' THR . 63.3 ttt180 -128.29 139.65 52.31 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 107.133 -1.432 . . . . 75.04 107.133 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.1 OUTLIER -94.11 130.76 40.17 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 119.647 -0.821 . . . . 65.24 109.339 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.447 ' HB2' ' SG ' ' B' ' 120' ' ' CYS . 97.0 m-85 -114.65 108.83 17.33 Favored 'General case' 0 C--N 1.277 -2.547 0 CA-C-N 115.173 -0.921 . . . . 72.25 109.113 176.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.444 ' HG2' HG12 ' B' ' 119' ' ' VAL . 56.7 mtt85 -92.83 151.86 19.75 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.419 -0.81 . . . . 73.2 109.33 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.4 mt -112.92 136.73 52.25 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 108.769 -0.826 . . . . 74.11 108.769 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' B' ' 115' ' ' SER . 6.3 p -133.12 140.07 47.43 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.303 -1.369 . . . . 75.45 107.303 171.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.8 t -142.59 151.83 41.92 Favored 'General case' 0 N--CA 1.421 -1.891 0 C-N-CA 118.366 -1.334 . . . . 73.51 111.575 -169.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.56 ' HG2' ' HB ' ' B' ' 102' ' ' THR . 39.0 ptt180 . . . . . 0 N--CA 1.432 -1.331 0 CA-C-N 115.469 -0.787 . . . . 61.43 108.964 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 110.235 -0.283 . . . . 73.21 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.0 m -122.9 112.27 17.65 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.965 -1.124 . . . . 54.44 107.965 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.1 m -122.32 165.59 16.02 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 107.593 -1.262 . . . . 32.44 107.593 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -160.76 152.36 19.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.074 -0.713 . . . . 75.2 109.074 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.637 ' SG ' HD21 ' B' ' 129' ' ' LEU . 34.3 m -89.14 109.09 20.0 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 123.789 0.681 . . . . 52.51 109.592 -176.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.2 ptt180 -94.53 138.61 32.22 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 121.56 0.695 . . . . 74.12 110.623 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 m -87.8 10.72 17.54 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.458 -1.246 . . . . 71.13 110.036 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . 178.78 -104.92 0.19 Allowed Glycine 0 N--CA 1.421 -2.329 0 N-CA-C 109.473 -1.451 . . . . 71.03 109.473 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -107.96 178.46 4.51 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.23 -0.656 . . . . 74.44 109.23 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' THR . 11.7 p -142.72 166.92 23.33 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.391 -0.966 . . . . 74.25 108.391 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.37 31.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.925 0.89 . . . . 70.53 112.059 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.5 t -169.65 36.64 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.69 -1.596 . . . . 54.5 106.69 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.95 85.14 1.26 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.155 -0.929 . . . . 71.3 110.341 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.02 18.07 0.37 Allowed 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.243 -1.762 . . . . 64.23 106.243 175.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -145.15 90.64 2.06 Favored 'General case' 0 N--CA 1.418 -2.071 0 CA-C-N 114.813 -1.085 . . . . 74.03 110.19 -176.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 19' ' ' VAL . 4.7 tt -102.19 110.75 22.79 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 105.218 -2.141 . . . . 74.45 105.218 170.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -105.72 -13.77 15.45 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.937 -0.574 . . . . 72.14 112.229 -174.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.89 164.15 34.1 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.615 -0.994 . . . . 63.22 110.615 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 16' ' ' LEU . 12.3 m -136.52 156.6 35.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 CA-C-O 121.49 0.662 . . . . 73.34 111.228 175.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.39 123.02 8.57 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 114.586 -1.188 . . . . 72.52 110.232 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.16 123.44 40.92 Favored 'General case' 0 CA--C 1.478 -1.818 0 N-CA-C 107.815 -1.18 . . . . 72.41 107.815 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' B' ' 127' ' ' TYR . 34.6 mt -134.04 124.94 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.15 0 CA-C-N 114.718 -1.128 . . . . 54.22 108.683 -173.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.0 p 52.56 31.74 10.49 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.236 1.414 . . . . 72.3 112.881 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.93 2.71 86.08 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 116.282 -0.417 . . . . 74.42 112.544 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -111.9 133.65 53.96 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.02 -1.474 . . . . 65.43 107.02 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.439 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.09 125.68 38.87 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.577 -0.849 . . . . 63.4 110.458 -174.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CE2' HD13 ' B' ' 122' ' ' ILE . 71.4 m-85 -107.38 130.09 54.84 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.127 -0.942 . . . . 70.33 110.614 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.475 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 70.5 mtt85 -109.41 155.47 21.22 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 109.124 -0.695 . . . . 74.01 109.124 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.694 HD21 ' SG ' ' B' ' 105' ' ' CYS . 52.3 mt -113.53 119.15 36.53 Favored 'General case' 0 C--N 1.267 -3.019 0 N-CA-C 108.871 -0.788 . . . . 72.54 108.871 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.5 p -119.39 120.05 35.75 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 107.243 -1.391 . . . . 73.4 107.243 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 t -112.57 148.41 34.6 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.162 -1.015 . . . . 74.24 110.82 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--O 1.254 1.303 0 CA-C-N 116.086 -0.506 . . . . 75.14 109.846 -176.685 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.404 0 CA-C-O 120.736 0.303 . . . . 64.2 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 19.6 m -127.23 112.11 14.73 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.762 -0.829 . . . . 74.23 108.762 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 32.0 m -126.82 168.81 13.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.222 -1.399 . . . . 53.52 107.222 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -160.17 148.21 16.71 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 120.799 0.333 . . . . 74.2 111.867 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.694 ' SG ' HD21 ' A' ' 29' ' ' LEU . 19.8 m -89.6 112.48 23.71 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.427 -0.806 . . . . 71.34 109.91 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' B' ' 130' ' ' CYS . 1.1 ppt_? -122.99 142.08 51.24 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 120.86 0.362 . . . . 62.22 111.646 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 48.5 p -89.45 2.67 54.21 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 121.338 0.589 . . . . 65.21 112.421 -173.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.38 -119.58 1.13 Allowed Glycine 0 N--CA 1.405 -3.414 0 N-CA-C 109.168 -1.573 . . . . 73.32 109.168 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -105.39 178.61 4.51 Favored 'General case' 0 C--N 1.277 -2.566 0 N-CA-C 109.147 -0.686 . . . . 73.43 109.147 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.298 -1.657 0 N-CA-C 108.519 -0.919 . . . . 71.22 108.519 175.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.399 -2.996 0 N-CA-C 102.65 -3.093 . . . . 73.43 102.65 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.614 HD21 HG13 ' B' ' 119' ' ' VAL . 4.4 tt -80.8 114.47 19.71 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 107.397 -1.334 . . . . 61.2 107.397 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.1 p -110.56 -13.97 14.15 Favored 'General case' 0 C--N 1.264 -3.114 0 CA-C-N 114.167 -1.379 . . . . 62.2 111.71 -173.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.43 163.77 35.95 Favored Glycine 0 N--CA 1.415 -2.74 0 N-CA-C 111.14 -0.784 . . . . 74.34 111.14 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.614 HG13 HD21 ' B' ' 116' ' ' LEU . 3.4 m -140.88 151.5 20.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 123.769 0.828 . . . . 74.21 110.856 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.34 116.02 5.91 Favored 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 114.876 -1.056 . . . . 51.41 108.511 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.446 ' HB2' HD22 ' B' ' 126' ' ' LEU . 32.8 tt0 -97.19 107.75 20.34 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 106.87 -1.53 . . . . 72.1 106.87 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.424 HD13 ' CE2' ' A' ' 27' ' ' TYR . 47.2 mt -122.74 135.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 114.6 -1.182 . . . . 75.23 108.258 -172.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 66.1 p 55.83 32.56 19.84 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.283 1.033 . . . . 74.12 111.868 -178.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.08 19.07 76.96 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.538 -0.756 . . . . 73.44 112.594 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.473 ' NE ' HG21 ' B' ' 107' ' ' THR . 56.3 ttt180 -124.08 136.94 54.59 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 105.963 -1.866 . . . . 74.31 105.963 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.54 120.2 33.53 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.813 -1.155 . . . . 73.04 108.988 -174.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 22' ' ' ILE . 88.1 m-85 -101.9 110.16 22.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.84 -0.618 . . . . 61.33 110.412 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.409 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 62.2 mtt85 -94.74 143.25 26.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 108.997 -0.742 . . . . 74.04 108.997 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.637 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.7 mt -105.97 124.49 49.66 Favored 'General case' 0 C--N 1.267 -3.015 0 CA-C-N 115.856 -0.611 . . . . 70.42 109.618 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.483 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 11.7 p -122.46 142.11 50.91 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 107.513 -1.291 . . . . 54.24 107.513 170.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.7 t -136.82 162.26 33.7 Favored 'General case' 0 N--CA 1.416 -2.158 0 C-N-CA 118.958 -1.097 . . . . 64.42 110.034 -172.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.432 -1.329 0 CA-C-N 116.256 -0.429 . . . . 74.05 110.542 -179.158 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.091 -0.707 . . . . 74.31 109.091 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.3 m -125.82 112.07 15.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.765 -1.198 . . . . 65.31 107.765 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.8 m -128.7 165.42 20.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 74.34 107.723 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -156.37 150.92 25.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.459 0.171 . . . . 74.24 111.402 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.4 m -95.91 121.14 37.33 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 123.695 0.622 . . . . 61.35 109.986 -175.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 ptp180 -142.73 155.9 44.94 Favored 'General case' 0 C--O 1.202 -1.41 0 N-CA-C 110.21 -0.293 . . . . 73.04 110.21 175.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.403 HG21 ' NE ' ' A' ' 25' ' ' ARG . 23.7 p -92.03 9.33 33.7 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 112.774 0.657 . . . . 72.4 112.774 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.24 -146.95 5.01 Favored Glycine 0 N--CA 1.427 -1.964 0 C-N-CA 120.233 -0.984 . . . . 64.31 112.629 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -98.07 173.36 7.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 123.363 0.665 . . . . 73.54 109.605 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 9.5 p -143.83 159.94 41.64 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 120.539 -0.464 . . . . 65.45 110.69 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 86.28 1.61 Allowed 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 121.746 0.784 . . . . 72.34 111.133 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t 173.15 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 125.875 1.67 . . . . 74.51 106.965 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 57.15 132.01 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 0 N-CA-C 115.883 1.809 . . . . 71.31 115.883 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 69.69 7.58 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.707 -1.133 . . . . 71.23 113.739 175.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -93.46 26.21 3.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 106.851 -1.537 . . . . 64.15 106.851 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -78.35 124.21 27.85 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 104.81 -2.293 . . . . 74.04 104.81 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -118.86 -8.49 10.29 Favored 'General case' 0 C--N 1.271 -2.832 0 CA-C-N 115.359 -0.837 . . . . 74.23 112.631 -172.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.3 34.67 Favored Glycine 0 N--CA 1.419 -2.465 0 N-CA-C 110.82 -0.912 . . . . 54.23 110.82 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.496 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.4 m -136.45 154.82 33.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-O 120.995 0.426 . . . . 63.41 110.666 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.2 p -148.41 115.93 6.26 Favored 'General case' 0 C--N 1.28 -2.448 0 CA-C-N 115.248 -0.887 . . . . 31.25 110.182 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.614 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.06 123.3 40.76 Favored 'General case' 0 N--CA 1.402 -2.873 0 N-CA-C 107.738 -1.208 . . . . 70.02 107.738 179.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.471 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -129.84 123.45 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 114.259 -1.337 . . . . 51.15 108.714 -171.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.9 p 50.86 31.99 6.74 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 125.222 1.409 . . . . 51.01 113.467 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.2 -0.56 64.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.117 -0.564 . . . . 74.4 113.191 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' NE ' HG21 ' A' ' 7' ' ' THR . 41.8 ttt180 -113.12 134.55 54.5 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.97 -1.122 . . . . 72.14 107.97 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.95 118.53 31.6 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.126 -0.694 . . . . 70.02 109.126 -174.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 78.4 m-85 -101.26 127.82 47.69 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 123.258 0.623 . . . . 72.42 110.619 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -102.02 143.93 31.25 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 123.455 0.702 . . . . 74.34 109.904 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.725 HD21 ' SG ' ' B' ' 105' ' ' CYS . 58.1 mt -107.83 108.03 19.03 Favored 'General case' 0 N--CA 1.396 -3.143 0 N-CA-C 107.495 -1.298 . . . . 75.13 107.495 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -116.03 127.88 55.26 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 107.101 -1.444 . . . . 63.31 107.101 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -116.12 158.09 23.76 Favored 'General case' 0 C--N 1.281 -2.375 0 C-N-CA 119.899 -0.72 . . . . 40.4 110.164 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.259 1.588 0 N-CA-C 109.777 -0.453 . . . . 62.31 109.777 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 109.74 -0.467 . . . . 71.22 109.74 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' B' ' 132' ' ' ARG . 95.5 m -137.91 112.76 9.01 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.981 -0.748 . . . . 70.2 108.981 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.7 m -120.53 163.59 17.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.668 -1.604 . . . . 52.14 106.668 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -153.58 146.3 24.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 120.788 0.328 . . . . 54.44 111.703 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.725 ' SG ' HD21 ' A' ' 29' ' ' LEU . 27.8 m -88.99 102.76 15.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.33 -0.85 . . . . 64.52 110.091 -175.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.56 ' NH1' ' HA ' ' B' ' 109' ' ' ARG . 3.9 ppt_? -113.05 137.16 51.84 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 121.814 0.816 . . . . 73.35 112.741 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 36.5 p -88.64 -0.63 57.46 Favored 'General case' 0 C--N 1.267 -3.003 0 CA-C-N 114.883 -1.053 . . . . 73.04 113.782 -171.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.15 -88.46 0.13 Allowed Glycine 0 CA--C 1.47 -2.738 0 N-CA-C 109.796 -1.321 . . . . 35.4 109.796 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.56 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 28.3 ptt180 -136.56 178.41 7.09 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.235 -0.654 . . . . 75.21 109.235 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.485 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 6.2 p . . . . . 0 N--CA 1.426 -1.637 0 N-CA-C 107.806 -1.183 . . . . 72.22 107.806 173.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 20.2 t . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 107.609 -1.256 . . . . 60.35 107.609 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.461 HD21 HG13 ' B' ' 119' ' ' VAL . 3.6 tt -77.93 121.85 24.71 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 105.63 -1.989 . . . . 65.33 105.63 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.0 p -118.87 -5.11 10.62 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-N 114.913 -1.04 . . . . 75.41 112.572 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.09 164.09 33.89 Favored Glycine 0 N--CA 1.43 -1.704 0 N-CA-C 110.939 -0.864 . . . . 70.25 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.461 HG13 HD21 ' B' ' 116' ' ' LEU . 5.3 m -140.57 151.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-O 121.199 0.523 . . . . 75.32 111.292 176.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.4 p -153.07 117.05 4.81 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.603 -1.181 . . . . 74.52 109.252 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.511 ' HB2' HD22 ' B' ' 126' ' ' LEU . 41.5 tt0 -96.51 112.31 24.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.077 -1.453 . . . . 62.32 107.077 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.433 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 36.2 mt -127.35 135.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 N-CA-C 107.867 -1.161 . . . . 73.02 107.867 -173.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 48.1 p 53.98 32.41 15.36 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.384 1.074 . . . . 72.23 112.455 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.86 -3.79 78.03 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-N 115.835 -0.621 . . . . 62.33 113.41 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.632 ' NE ' HG21 ' B' ' 107' ' ' THR . 61.8 ttt180 -106.09 138.15 42.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.43 -1.322 . . . . 71.34 107.43 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.89 117.86 30.67 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.629 -0.878 . . . . 74.52 108.629 -175.083 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.471 ' CE2' HD13 ' A' ' 22' ' ' ILE . 81.1 m-85 -98.99 106.58 18.85 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.361 0.601 . . . . 74.54 110.532 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.525 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 66.0 mtt85 -91.95 139.55 30.54 Favored 'General case' 0 CA--C 1.478 -1.801 0 N-CA-C 108.786 -0.82 . . . . 74.41 108.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.668 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.1 mt -104.29 122.38 45.29 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 108.346 -0.983 . . . . 64.53 108.346 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.516 ' HB3' HH21 ' B' ' 106' ' ' ARG . 21.1 p -126.68 143.35 51.26 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.56 -1.274 . . . . 75.45 107.56 171.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.2 t -136.83 153.27 50.84 Favored 'General case' 0 N--CA 1.406 -2.638 0 C-N-CA 118.691 -1.204 . . . . 54.34 111.511 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 102' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.933 0 CA-C-N 115.484 -0.78 . . . . 62.12 110.29 175.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 109.316 -0.624 . . . . 65.35 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -130.06 112.16 13.19 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.222 -0.658 . . . . 72.44 109.222 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -122.0 168.19 12.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.792 -1.188 . . . . 61.41 107.792 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -159.47 134.19 7.93 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.717 0.294 . . . . 74.33 111.189 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.624 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.3 m -83.42 120.38 25.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.911 -0.774 . . . . 62.43 108.911 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -138.36 160.79 38.59 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.565 -0.854 . . . . 73.42 111.276 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.51 HG21 ' NE ' ' A' ' 25' ' ' ARG . 21.1 p -92.84 5.12 52.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 113.164 0.801 . . . . 63.13 113.164 -174.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.33 -148.95 4.86 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.908 -1.139 . . . . 62.41 111.435 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -97.77 161.03 13.95 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 120.787 0.327 . . . . 74.04 110.365 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 p -125.6 168.6 13.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.903 -1.147 . . . . 73.5 107.903 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.3 65.13 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 118.226 0.466 . . . . 71.2 110.467 -172.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -80.96 88.46 5.91 Favored 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.101 -1.814 . . . . 71.24 106.101 167.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -80.0 154.43 28.21 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.372 -0.83 . . . . 75.44 109.044 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 69.69 12.44 8.06 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 122.77 1.271 . . . . 72.21 110.299 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -90.89 12.65 18.8 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.819 -1.082 . . . . 74.54 108.183 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 19' ' ' VAL . 4.0 tt -77.2 112.36 13.81 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 105.598 -2.001 . . . . 72.42 105.598 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -113.72 -10.55 13.04 Favored 'General case' 0 C--N 1.27 -2.865 0 CA-C-N 113.984 -1.462 . . . . 75.12 111.19 -172.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.19 164.03 34.37 Favored Glycine 0 N--CA 1.408 -3.173 0 N-CA-C 109.816 -1.313 . . . . 64.12 109.816 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.544 HG13 HD21 ' A' ' 16' ' ' LEU . 27.2 m -139.92 159.75 26.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 121.166 0.508 . . . . 73.2 109.912 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 p -147.35 126.04 12.59 Favored 'General case' 0 C--N 1.27 -2.87 0 CA-C-N 115.176 -0.92 . . . . 53.34 109.31 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.9 120.68 38.73 Favored 'General case' 0 N--CA 1.405 -2.694 0 N-CA-C 107.729 -1.211 . . . . 65.11 107.729 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' B' ' 127' ' ' TYR . 50.2 mt -133.97 126.59 50.55 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 114.426 -1.261 . . . . 60.44 108.287 -173.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 p 55.96 31.7 18.42 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.294 1.438 . . . . 74.2 112.26 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.06 20.47 79.32 Favored Glycine 0 CA--C 1.504 -0.621 0 N-CA-C 111.856 -0.498 . . . . 74.22 111.856 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' NE ' HG21 ' A' ' 7' ' ' THR . 66.5 ttt180 -127.56 138.8 52.99 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.693 -1.595 . . . . 72.4 106.693 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -93.91 129.24 40.42 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.599 -0.841 . . . . 71.24 111.463 -174.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 83.2 m-85 -111.32 117.13 32.29 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 114.686 -1.143 . . . . 70.14 109.719 176.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -97.98 144.45 27.49 Favored 'General case' 0 CA--C 1.471 -2.061 0 N-CA-C 108.959 -0.756 . . . . 74.22 108.959 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.695 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.7 mt -108.55 108.21 19.02 Favored 'General case' 0 N--CA 1.403 -2.824 0 CA-C-N 115.546 -0.752 . . . . 75.43 109.302 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' SER . 27.1 p -112.27 138.51 48.87 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.195 -1.039 . . . . 65.33 108.195 172.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 t -143.63 156.31 44.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 119.713 -0.795 . . . . 72.11 111.417 -167.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.255 1.351 0 CA-C-N 115.672 -0.695 . . . . 55.33 109.707 -178.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.124 -0.324 . . . . 74.31 110.124 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 87.0 m -137.36 112.06 8.81 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.778 -0.823 . . . . 74.12 108.778 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 31.7 m -124.04 164.84 18.57 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.774 -1.195 . . . . 70.1 107.774 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -156.52 143.66 18.9 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.628 0.251 . . . . 73.53 110.926 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.695 ' SG ' HD21 ' A' ' 29' ' ' LEU . 49.1 m -79.77 113.16 17.71 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.502 -0.772 . . . . 41.33 109.138 -177.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.822 ' HD3' ' SG ' ' B' ' 130' ' ' CYS . 13.2 mtm180 -93.75 151.54 19.55 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 107.935 -1.135 . . . . 74.34 107.935 -178.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 40.8 p -103.75 13.71 32.49 Favored 'General case' 0 C--N 1.269 -2.927 0 CA-C-O 122.485 1.136 . . . . 74.0 109.083 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . 0.502 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -179.06 -102.93 0.16 Allowed Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 113.884 -1.507 . . . . 72.33 109.386 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -118.8 167.4 11.73 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.26 0.624 . . . . 75.32 110.553 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.533 ' HB3' ' HD2' ' B' ' 106' ' ' ARG . 26.3 p . . . . . 0 CA--C 1.489 -1.378 0 N-CA-C 108.485 -0.931 . . . . 75.13 108.485 176.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.425 -1.7 0 CA-C-O 121.565 0.698 . . . . 45.23 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.631 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -101.04 115.12 29.73 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 103.688 -2.708 . . . . 70.51 103.688 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.0 p -111.34 -4.82 14.78 Favored 'General case' 0 C--N 1.274 -2.712 0 CA-C-N 115.754 -0.657 . . . . 75.15 112.583 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 162.84 32.17 Favored Glycine 0 N--CA 1.42 -2.433 0 C-N-CA 120.608 -0.806 . . . . 71.21 111.367 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.631 HG13 HD21 ' B' ' 116' ' ' LEU . 3.1 m -143.56 143.54 24.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 123.508 0.723 . . . . 73.21 111.132 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.2 p -146.21 116.25 7.37 Favored 'General case' 0 C--N 1.273 -2.722 0 CA-C-N 114.823 -1.081 . . . . 73.01 109.621 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.552 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -97.61 121.78 39.92 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 108.075 -1.083 . . . . 72.22 108.075 177.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.522 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 20.2 mt -135.25 130.73 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.94 0 CA-C-N 114.313 -1.312 . . . . 62.34 108.148 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p 54.78 31.36 15.38 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 125.845 1.658 . . . . 62.23 112.567 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.66 14.03 78.79 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 120.971 -0.633 . . . . 74.2 112.768 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.454 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 65.6 ttt180 -122.99 136.73 54.97 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 107.212 -1.403 . . . . 73.43 107.212 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.99 118.37 31.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 119.551 -0.86 . . . . 63.44 109.436 -175.516 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' B' ' 106' ' ' ARG . 95.6 m-85 -100.71 111.78 24.07 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.318 -0.856 . . . . 72.11 109.505 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 62.8 mtt85 -94.8 152.83 18.09 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 116.063 -0.517 . . . . 73.0 109.844 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.624 HD21 ' SG ' ' A' ' 5' ' ' CYS . 55.2 mt -115.65 124.29 50.52 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 108.994 -0.743 . . . . 62.41 108.994 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.822 ' SG ' ' HD3' ' B' ' 106' ' ' ARG . 29.9 p -124.46 142.39 51.36 Favored 'General case' 0 CA--C 1.474 -1.951 0 N-CA-C 105.152 -2.166 . . . . 62.23 105.152 170.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 34.3 t -142.31 155.86 45.22 Favored 'General case' 0 N--CA 1.411 -2.421 0 C-N-CA 118.034 -1.466 . . . . 60.24 111.843 -171.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 N--CA 1.413 -2.3 0 N-CA-C 107.941 -1.133 . . . . 71.54 107.941 176.216 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 110.173 -0.306 . . . . 74.23 110.173 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 m -119.1 112.62 19.77 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 107.823 -1.177 . . . . 72.51 107.823 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.5 m -121.97 164.52 17.47 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.941 -1.503 . . . . 42.31 106.941 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -154.53 150.84 28.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 118.112 0.415 . . . . 64.05 111.683 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.7 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.9 m -98.36 120.02 38.04 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 123.876 0.735 . . . . 73.5 109.96 -174.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 14.2 ptp180 -137.02 168.32 19.82 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.784 0.661 . . . . 75.43 112.784 176.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 67.4 p -87.53 -12.55 45.5 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.962 -0.563 . . . . 45.04 112.025 -174.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -146.9 -131.05 2.15 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.022 -1.085 . . . . 62.25 112.846 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -97.84 169.35 9.72 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 122.769 0.428 . . . . 73.24 110.731 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 8.3 p -135.38 160.43 38.44 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.261 -0.427 . . . . 71.2 110.08 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -74.92 79.03 2.15 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.345 0.593 . . . . 32.51 111.036 -178.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 12.1 t 174.11 -44.99 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 114.111 -1.404 . . . . 74.15 108.575 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 60.42 -179.68 0.1 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 123.667 0.787 . . . . 75.2 111.07 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 70.61 -48.28 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.765 1.226 . . . . 65.03 113.416 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 31.3 m -73.72 25.77 0.07 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 124.842 1.257 . . . . 72.11 113.089 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.52 112.96 16.12 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 104.79 -2.3 . . . . 55.44 104.79 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -115.75 -1.79 12.57 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.827 -1.079 . . . . 63.13 112.796 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.26 163.49 33.52 Favored Glycine 0 N--CA 1.415 -2.74 0 C-N-CA 120.314 -0.946 . . . . 73.13 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.01 152.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 C-N-CA 123.196 0.598 . . . . 63.21 110.176 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.8 p -148.21 119.9 8.05 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.996 -1.002 . . . . 74.11 109.63 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.41 117.75 32.35 Favored 'General case' 0 N--CA 1.413 -2.275 0 N-CA-C 107.836 -1.172 . . . . 75.15 107.836 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.448 HD13 ' CE2' ' B' ' 127' ' ' TYR . 59.6 mt -126.92 123.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 CA-C-N 113.44 -1.709 . . . . 74.11 109.337 -171.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p 51.69 32.09 8.84 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.132 1.373 . . . . 74.44 113.548 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.93 10.34 64.81 Favored Glycine 0 C--O 1.242 0.618 0 C-N-CA 120.546 -0.835 . . . . 45.52 112.817 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.1 136.65 54.38 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 108.224 -1.028 . . . . 73.55 108.224 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.53 121.91 35.42 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.724 -0.843 . . . . 73.44 108.724 -176.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 72.1 m-85 -103.65 123.97 47.97 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 115.681 -0.69 . . . . 75.24 110.361 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 65.2 mtt85 -102.85 143.4 32.51 Favored 'General case' 0 CA--C 1.464 -2.337 0 CA-C-N 115.293 -0.867 . . . . 72.43 109.337 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.735 HD21 ' SG ' ' B' ' 105' ' ' CYS . 47.2 mt -108.74 107.92 18.55 Favored 'General case' 0 N--CA 1.399 -3.013 0 N-CA-C 107.671 -1.233 . . . . 73.25 107.671 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' SER . 28.1 p -112.53 121.28 44.36 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 107.338 -1.356 . . . . 54.54 107.338 173.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -109.21 158.41 17.85 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.955 -0.698 . . . . 54.43 110.738 -169.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--O 1.259 1.565 0 CA-C-N 116.334 -0.394 . . . . 75.15 110.053 -177.775 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.275 -0.639 . . . . 43.13 109.275 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 42.4 m -123.44 111.34 16.22 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 108.79 -0.819 . . . . 73.51 108.79 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 33.9 m -125.62 165.84 17.81 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.638 -1.615 . . . . 72.42 106.638 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -160.35 153.98 22.45 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 118.311 0.505 . . . . 72.42 111.9 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.735 ' SG ' HD21 ' A' ' 29' ' ' LEU . 32.2 m -94.52 110.49 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.606 -0.724 . . . . 73.03 110.439 -174.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.582 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.318 2.9 ppt_? -116.64 136.19 53.17 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 114.895 1.443 . . . . 71.54 114.895 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 76.3 p -78.04 -1.91 34.62 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.761 -1.563 . . . . 72.31 112.355 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.93 -98.26 0.15 Allowed Glycine 0 CA--C 1.472 -2.604 0 N-CA-C 109.307 -1.517 . . . . 73.54 109.307 -175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.473 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.4 ptt180 -124.92 178.34 5.56 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 116.928 0.364 . . . . 72.33 110.215 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.539 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 7.5 p . . . . . 0 C--O 1.248 1.026 0 N-CA-C 108.962 -0.755 . . . . 75.42 108.962 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.418 -2.07 0 CA-C-O 121.445 0.641 . . . . 62.33 111.555 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.539 HD21 HG13 ' B' ' 119' ' ' VAL . 3.5 tt -99.87 117.03 33.32 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 103.647 -2.723 . . . . 51.21 103.647 169.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.7 p -107.95 -7.35 16.23 Favored 'General case' 0 C--N 1.278 -2.541 0 N-CA-C 113.76 1.022 . . . . 60.45 113.76 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.32 163.58 32.94 Favored Glycine 0 N--CA 1.424 -2.162 0 C-N-CA 120.235 -0.983 . . . . 71.31 110.937 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.539 HG13 HD21 ' B' ' 116' ' ' LEU . 6.3 m -137.68 146.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.463 0.649 . . . . 74.34 110.768 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.1 p -146.87 117.72 7.64 Favored 'General case' 0 C--N 1.27 -2.878 0 CA-C-N 114.965 -1.016 . . . . 65.02 109.737 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.488 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.1 OUTLIER -97.23 121.05 38.68 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.097 -1.446 . . . . 62.13 107.097 178.228 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.472 HD13 ' CE2' ' A' ' 27' ' ' TYR . 34.9 mt -131.76 124.82 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 0 CA-C-N 114.244 -1.344 . . . . 73.51 108.615 -172.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p 54.26 31.58 14.49 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 125.59 1.556 . . . . 44.15 113.068 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.63 18.42 61.91 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.754 -0.736 . . . . 62.21 112.609 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -127.88 136.87 51.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.236 -1.024 . . . . 73.34 108.236 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.03 121.32 35.39 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 119.758 -0.777 . . . . 74.12 109.584 -176.491 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.448 ' CE2' HD13 ' A' ' 22' ' ' ILE . 80.9 m-85 -103.67 113.84 27.66 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 115.416 -0.811 . . . . 74.23 109.793 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.506 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 58.8 mtt85 -97.98 142.72 29.35 Favored 'General case' 0 CA--C 1.472 -2.028 0 N-CA-C 108.186 -1.042 . . . . 71.55 108.186 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.7 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.6 mt -105.0 126.21 51.81 Favored 'General case' 0 C--N 1.262 -3.204 0 N-CA-C 108.382 -0.969 . . . . 65.02 108.382 -178.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.582 ' HB3' HH21 ' B' ' 106' ' ' ARG . 11.5 p -129.04 142.88 50.76 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 108.438 -0.949 . . . . 74.2 108.438 173.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 5.5 t -126.47 147.57 49.8 Favored 'General case' 0 N--CA 1.404 -2.772 0 N-CA-C 108.648 -0.871 . . . . 74.13 108.648 -174.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.304 -1.376 0 O-C-N 123.175 0.297 . . . . 62.44 111.253 -174.781 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 109.45 -0.574 . . . . 74.52 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.534 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 34.3 m -109.57 110.6 21.72 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.267 -1.012 . . . . 73.03 108.267 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' B' ' 117' ' ' SER . 7.2 m -132.03 160.34 36.16 Favored 'General case' 0 N--CA 1.418 -2.033 0 N-CA-C 105.065 -2.198 . . . . 74.5 105.065 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -157.69 151.77 24.44 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 118.203 0.456 . . . . 72.43 111.405 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.656 ' SG ' HD21 ' B' ' 129' ' ' LEU . 28.1 m -87.3 94.64 9.73 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 124.119 0.887 . . . . 74.03 110.128 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 12.5 ptt180 -93.0 139.38 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.378 -0.374 . . . . 75.51 111.545 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.03 0.36 53.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.227 -0.442 . . . . 44.53 111.159 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -156.29 -117.25 0.55 Allowed Glycine 0 N--CA 1.422 -2.286 0 N-CA-C 110.713 -0.955 . . . . 53.55 110.713 -174.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 38.7 ptt180 -111.4 177.81 4.54 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 116.989 0.394 . . . . 71.41 110.709 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 p -146.24 169.03 19.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.229 -1.767 . . . . 54.5 106.229 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -22.2 62.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.759 0.709 . . . . 50.22 110.269 -174.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -84.56 77.29 10.06 Favored 'General case' 0 N--CA 1.417 -2.117 0 CA-C-O 123.09 1.424 . . . . 60.51 108.414 170.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.23 153.63 42.86 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.471 -1.24 . . . . 73.43 110.735 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 73.58 -17.08 0.45 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.773 1.229 . . . . 72.22 111.585 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -85.79 75.13 10.09 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 122.212 1.006 . . . . 64.02 110.46 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.717 HD21 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -101.8 114.46 28.55 Favored 'General case' 0 N--CA 1.415 -2.212 0 N-CA-C 105.92 -1.881 . . . . 50.14 105.92 172.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -102.88 -15.78 16.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.837 -1.074 . . . . 73.13 111.224 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.32 34.7 Favored Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 110.732 -0.947 . . . . 51.02 110.732 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.717 HG13 HD21 ' A' ' 16' ' ' LEU . 4.1 m -143.14 149.58 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.025 0 CA-C-O 121.567 0.699 . . . . 53.34 112.531 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -152.93 114.88 4.34 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.062 -1.426 . . . . 74.11 108.39 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HB2' HD22 ' A' ' 26' ' ' LEU . 36.4 tt0 -96.67 107.86 20.38 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.797 -1.186 . . . . 71.35 107.797 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.454 HD13 ' CE2' ' B' ' 127' ' ' TYR . 28.0 mt -125.66 135.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-N 114.706 -1.133 . . . . 74.32 109.04 -170.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 52.48 32.86 12.11 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.575 1.15 . . . . 64.34 113.108 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.17 -2.12 87.6 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.731 -0.747 . . . . 73.04 112.811 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -108.4 143.04 37.87 Favored 'General case' 0 CA--C 1.454 -2.726 0 CA-C-O 121.12 0.486 . . . . 70.13 110.445 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -94.57 111.88 23.64 Favored 'General case' 0 C--N 1.258 -3.381 0 N-CA-C 106.269 -1.752 . . . . 62.11 106.269 178.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' B' ' 122' ' ' ILE . 81.2 m-85 -93.78 102.63 14.77 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-O 121.8 0.809 . . . . 74.44 109.756 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 58.1 mtt85 -90.85 146.19 24.14 Favored 'General case' 0 CA--C 1.47 -2.1 0 CA-C-N 114.885 -1.052 . . . . 74.22 108.32 177.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD11 ' SG ' ' B' ' 105' ' ' CYS . 51.6 mt -109.65 112.64 24.83 Favored 'General case' 0 C--N 1.254 -3.563 0 N-CA-C 108.246 -1.02 . . . . 61.24 108.246 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HB3' HH21 ' A' ' 6' ' ' ARG . 20.3 p -112.15 137.52 50.11 Favored 'General case' 0 CA--C 1.474 -1.957 0 N-CA-C 108.144 -1.058 . . . . 74.22 108.144 171.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.4 t -133.13 140.28 47.54 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.603 -0.888 . . . . 71.53 108.603 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 21.6 ptt180 . . . . . 0 C--N 1.318 -0.764 0 C-N-CA 120.393 -0.523 . . . . 74.42 111.109 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.525 0 CA-C-O 120.746 0.308 . . . . 51.44 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.9 m -112.8 111.99 23.16 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.605 -1.257 . . . . 71.44 107.605 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 47.2 m -118.53 157.8 26.62 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.61 -0.885 . . . . 61.04 108.61 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.17 137.11 16.27 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 120.992 0.425 . . . . 74.34 111.986 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.599 ' SG ' HD11 ' A' ' 29' ' ' LEU . 25.1 m -81.76 112.04 18.55 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.111 -0.949 . . . . 73.24 109.404 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.543 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.306 1.0 OUTLIER -118.04 136.26 53.66 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 114.33 1.233 . . . . 65.54 114.33 179.584 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 40.1 p -83.68 18.74 1.83 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 114.345 -1.298 . . . . 43.35 111.746 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.78 -114.13 0.3 Allowed Glycine 0 N--CA 1.405 -3.416 0 N-CA-C 109.588 -1.405 . . . . 65.01 109.588 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.492 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 40.0 ptt180 -115.51 178.6 4.24 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 122.965 0.506 . . . . 62.02 109.686 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.299 -1.622 0 N-CA-C 106.131 -1.803 . . . . 73.44 106.131 176.167 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.421 -1.888 0 N-CA-C 113.777 1.029 . . . . 64.23 113.777 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.509 HD21 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -101.97 112.63 25.34 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 104.65 -2.352 . . . . 73.22 104.65 165.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . 0.438 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 14.8 m -101.27 -17.57 16.51 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 115.49 -0.777 . . . . 61.03 111.842 -171.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.88 35.13 Favored Glycine 0 N--CA 1.425 -2.095 0 C-N-CA 120.763 -0.732 . . . . 54.33 111.291 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.509 HG13 HD21 ' B' ' 116' ' ' LEU . 3.6 m -137.24 144.18 32.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 123.185 0.594 . . . . 74.34 111.029 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 8.0 p -145.61 119.05 9.02 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.112 -0.949 . . . . 63.12 109.764 175.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.512 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.2 OUTLIER -97.95 122.23 40.82 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.838 -1.171 . . . . 73.42 107.838 178.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 27' ' ' TYR . 23.0 mt -134.98 128.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.123 0 CA-C-N 114.517 -1.219 . . . . 72.14 107.752 -173.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 80.1 p 54.98 31.81 16.8 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 125.448 1.499 . . . . 65.01 112.543 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 82.94 4.58 89.95 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 120.864 -0.684 . . . . 64.24 112.292 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.402 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 39.2 ttm180 -112.93 136.84 52.14 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.338 -1.356 . . . . 65.24 107.338 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.4 123.77 38.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 119.307 -0.957 . . . . 71.14 109.354 -176.52 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.454 ' CE2' HD13 ' A' ' 22' ' ' ILE . 83.5 m-85 -106.07 109.12 20.96 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.471 -0.786 . . . . 65.24 109.949 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.7 mtt85 -93.53 147.26 23.15 Favored 'General case' 0 CA--C 1.481 -1.688 0 N-CA-C 108.962 -0.755 . . . . 73.44 108.962 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.656 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.7 mt -109.98 120.34 42.16 Favored 'General case' 0 C--N 1.274 -2.713 0 CA-C-N 115.844 -0.616 . . . . 74.23 109.513 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.543 ' HB3' HH21 ' B' ' 106' ' ' ARG . 3.5 p -117.34 137.27 52.56 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.617 -0.882 . . . . 70.51 108.617 170.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 17.1 t -139.3 150.32 45.28 Favored 'General case' 0 N--CA 1.404 -2.77 0 C-N-CA 119.329 -0.949 . . . . 73.02 110.592 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -2.024 0 CA-C-N 114.738 -1.119 . . . . 71.42 109.97 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.416 0 N-CA-C 109.107 -0.701 . . . . 70.21 109.107 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' A' ' 32' ' ' ARG . 50.0 m -107.8 111.24 23.31 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 107.893 -1.151 . . . . 71.3 107.893 176.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -124.18 157.85 33.75 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.095 -1.446 . . . . 74.14 107.095 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -158.64 148.5 19.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.327 -0.99 . . . . 72.1 108.327 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.733 ' SG ' HD21 ' B' ' 129' ' ' LEU . 28.9 m -88.48 107.0 18.64 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.632 -0.507 . . . . 71.33 109.632 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -118.6 160.25 22.13 Favored 'General case' 0 C--O 1.193 -1.869 0 C-N-CA 119.794 -0.762 . . . . 64.32 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.574 HG21 ' NE ' ' A' ' 25' ' ' ARG . 62.0 p -100.81 8.35 43.25 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 113.184 0.809 . . . . 61.35 113.184 -173.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.3 -136.49 2.49 Favored Glycine 0 CA--C 1.482 -2.027 0 C-N-CA 118.5 -1.809 . . . . 64.0 112.713 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -97.36 162.47 13.31 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 109.809 -0.441 . . . . 71.13 109.809 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 p -125.03 171.78 9.97 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.004 -1.48 . . . . 62.14 107.004 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.75 65.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.139 0.881 . . . . 72.11 110.614 -171.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -95.55 92.49 6.67 Favored 'General case' 0 N--CA 1.408 -2.569 0 N-CA-C 106.398 -1.704 . . . . 54.55 106.398 167.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 110.81 7.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.162 -0.681 . . . . 64.42 109.162 -172.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.327 44.4 mt-10 82.17 76.5 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.15 1.452 . . . . 64.25 113.821 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.6 m -142.06 35.16 1.54 Allowed 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 103.656 -2.72 . . . . 71.4 103.656 173.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.732 HD21 HG13 ' A' ' 19' ' ' VAL . 3.1 tt -78.8 120.75 23.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 111.933 -2.394 . . . . 74.41 107.539 -175.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 p -111.54 -6.9 14.35 Favored 'General case' 0 C--N 1.277 -2.577 0 CA-C-N 114.938 -1.028 . . . . 62.35 111.834 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.43 161.14 30.04 Favored Glycine 0 N--CA 1.426 -1.991 0 N-CA-C 110.275 -1.13 . . . . 73.11 110.275 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.732 HG13 HD21 ' A' ' 16' ' ' LEU . 2.7 m -139.16 144.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-O 121.307 0.575 . . . . 62.15 111.708 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.93 118.11 11.3 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 115.009 -0.996 . . . . 72.01 110.184 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.666 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.43 124.05 41.48 Favored 'General case' 0 N--CA 1.41 -2.435 0 N-CA-C 107.271 -1.381 . . . . 73.12 107.271 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.6 mt -128.78 114.47 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 115.43 -0.804 . . . . 63.23 109.148 -174.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 p 53.77 31.25 12.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 126.157 1.783 . . . . 71.42 113.459 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.48 -10.34 57.76 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.972 -0.632 . . . . 71.12 113.726 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.574 ' NE ' HG21 ' A' ' 7' ' ' THR . 54.1 ttt180 -104.19 130.7 51.95 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.496 -1.668 . . . . 75.3 106.496 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -94.31 119.67 33.42 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.635 -0.826 . . . . 64.23 108.96 -174.171 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 97.1 m-85 -99.96 111.04 23.36 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-N 115.8 -0.636 . . . . 64.43 109.89 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -92.35 143.1 26.73 Favored 'General case' 0 CA--C 1.477 -1.828 0 C-N-CA 123.84 0.856 . . . . 74.24 109.754 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.653 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.3 mt -105.73 107.8 18.99 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 107.891 -1.152 . . . . 74.51 107.891 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.6 115.47 26.49 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.652 -1.61 . . . . 63.35 106.652 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 t -113.74 147.78 37.65 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-N 115.164 -0.925 . . . . 75.31 111.019 -166.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.469 ' HG3' ' HB ' ' A' ' 2' ' ' THR . 17.8 ptm180 . . . . . 0 C--N 1.304 -1.383 0 CA-C-N 115.626 -0.716 . . . . 75.42 110.006 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.494 -0.558 . . . . 74.22 109.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 62.4 m -134.5 112.0 10.55 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.055 -1.091 . . . . 73.35 108.055 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 6.9 m -133.9 168.7 18.28 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.06 -1.459 . . . . 65.14 107.06 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -159.71 140.25 12.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.243 0.474 . . . . 75.34 111.932 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.653 ' SG ' HD21 ' A' ' 29' ' ' LEU . 20.3 m -87.79 115.57 25.33 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-N 115.389 -0.823 . . . . 71.21 109.284 -177.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -140.54 160.43 40.02 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.28 -0.968 . . . . 64.1 110.994 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.474 HG21 ' NE ' ' B' ' 125' ' ' ARG . 18.5 p -91.02 15.94 10.56 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 112.794 0.664 . . . . 74.41 112.794 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.01 -146.3 4.3 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 119.946 -1.121 . . . . 51.54 112.136 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -98.28 160.96 13.94 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-O 121.55 0.691 . . . . 73.31 110.896 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.394 -3.251 0 CA-C-N 114.669 -1.15 . . . . 72.45 108.471 -171.015 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.415 -2.199 0 CA-C-O 121.566 0.698 . . . . 61.33 112.701 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.569 HD21 HG13 ' B' ' 119' ' ' VAL . 3.2 tt -99.51 113.57 26.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 103.123 -2.917 . . . . 65.03 103.123 168.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 m -97.35 -19.6 18.39 Favored 'General case' 0 C--N 1.264 -3.137 0 CA-C-N 114.87 -1.059 . . . . 71.15 112.254 -168.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.26 164.78 34.85 Favored Glycine 0 N--CA 1.428 -1.846 0 N-CA-C 110.883 -0.887 . . . . 51.33 110.883 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.569 HG13 HD21 ' B' ' 116' ' ' LEU . 7.6 m -134.51 155.82 39.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 CA-C-O 121.032 0.444 . . . . 53.5 110.431 173.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 9.9 p -149.67 117.18 6.13 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 114.817 -1.083 . . . . 53.42 109.039 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.561 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.74 118.74 34.96 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 107.362 -1.347 . . . . 74.03 107.362 178.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.485 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 37.0 mt -133.69 128.39 54.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 CA-C-N 114.361 -1.291 . . . . 74.33 108.323 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 68.5 p 56.53 32.32 20.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.243 1.417 . . . . 74.22 112.91 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 80.28 15.82 77.66 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.421 -0.419 . . . . 54.44 112.213 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.474 ' NE ' HG21 ' B' ' 107' ' ' THR . 52.2 ttt180 -126.86 135.25 50.72 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.118 -1.438 . . . . 74.45 107.118 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.08 118.84 32.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.811 -0.756 . . . . 75.23 109.359 -174.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 22' ' ' ILE . 86.7 m-85 -101.63 114.75 29.08 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.53 -0.759 . . . . 73.33 110.038 176.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -91.54 148.72 22.08 Favored 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 109.5 -0.556 . . . . 73.45 109.5 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.733 HD21 ' SG ' ' A' ' 5' ' ' CYS . 58.3 mt -114.4 106.74 14.66 Favored 'General case' 0 N--CA 1.39 -3.444 0 N-CA-C 106.733 -1.581 . . . . 62.34 106.733 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 14.6 p -106.48 136.06 46.9 Favored 'General case' 0 C--N 1.263 -3.17 0 N-CA-C 106.733 -1.58 . . . . 62.51 106.733 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.1 t -132.9 152.52 51.87 Favored 'General case' 0 N--CA 1.404 -2.763 0 C-N-CA 118.555 -1.258 . . . . 74.32 110.931 -174.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 132' ' ' ARG . 14.4 ptm180 . . . . . 0 N--CA 1.433 -1.317 0 CA-C-N 115.036 -0.984 . . . . 74.2 109.292 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.759 0 N-CA-C 109.041 -0.725 . . . . 63.03 109.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.2 m -118.98 112.01 19.05 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.568 -0.901 . . . . 74.55 108.568 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -124.25 165.77 17.05 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.235 -1.765 . . . . 74.11 106.235 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 26.8 p90 -158.87 152.63 23.23 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 118.041 0.382 . . . . 74.13 111.707 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.581 ' SG ' HD21 ' B' ' 129' ' ' LEU . 26.9 m -87.56 109.37 19.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.136 -0.938 . . . . 70.41 108.81 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 15.3 ptt180 -105.69 150.05 25.83 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 116.051 -0.522 . . . . 62.41 110.651 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -90.24 -4.79 56.98 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.328 0.585 . . . . 72.44 111.499 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.487 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -162.32 -110.37 0.25 Allowed Glycine 0 N--CA 1.414 -2.809 0 N-CA-C 110.378 -1.089 . . . . 72.44 110.378 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -98.14 177.82 5.28 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.029 -0.73 . . . . 73.44 109.029 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 17.5 p -146.46 145.62 30.27 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.141 -1.059 . . . . 43.22 108.141 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 85.6 1.51 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.606 0.717 . . . . 24.43 110.733 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t 173.14 -36.13 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 126.204 1.802 . . . . 62.54 106.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 53.65 -173.92 0.04 OUTLIER 'General case' 0 C--N 1.373 1.595 0 N-CA-C 114.201 1.186 . . . . 75.22 114.201 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 69.32 -55.46 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.558 1.543 . . . . 63.11 114.285 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 18.5 m -80.89 77.0 7.81 Favored 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 112.653 0.612 . . . . 74.32 112.653 -175.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.507 HD21 HG13 ' A' ' 19' ' ' VAL . 4.5 tt -95.7 108.08 20.34 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 104.005 -2.591 . . . . 74.01 104.005 169.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -111.26 -5.9 14.62 Favored 'General case' 0 C--N 1.266 -3.035 0 CA-C-N 114.64 -1.164 . . . . 74.35 113.237 -168.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.92 163.64 33.3 Favored Glycine 0 N--CA 1.417 -2.588 0 N-CA-C 110.369 -1.092 . . . . 64.41 110.369 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG13 HD21 ' A' ' 16' ' ' LEU . 11.5 m -142.64 149.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 121.672 0.748 . . . . 72.41 110.987 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.9 p -146.01 114.97 6.95 Favored 'General case' 0 C--N 1.27 -2.852 0 CA-C-N 114.703 -1.135 . . . . 75.51 109.496 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' HD22 ' A' ' 26' ' ' LEU . 1.2 tm-20 -96.19 121.37 37.9 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.133 -1.062 . . . . 75.23 108.133 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' B' ' 127' ' ' TYR . 24.8 mt -134.04 127.83 52.13 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-N 114.143 -1.39 . . . . 75.13 107.89 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.3 p 52.4 32.5 11.31 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 124.857 1.263 . . . . 72.45 112.924 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 -6.5 83.22 Favored Glycine 0 C--O 1.244 0.748 0 C-N-CA 121.444 -0.408 . . . . 74.51 113.013 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -103.86 137.22 42.16 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.678 -0.86 . . . . 74.43 108.678 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.91 117.46 30.13 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 108.589 -0.893 . . . . 75.31 108.589 -176.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' CE2' HD13 ' B' ' 122' ' ' ILE . 80.2 m-85 -99.27 115.24 28.69 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-N 115.692 -0.685 . . . . 74.25 109.72 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.487 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 69.2 mtt85 -94.07 155.02 17.32 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 115.695 -0.684 . . . . 72.23 109.209 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.678 HD21 ' SG ' ' B' ' 105' ' ' CYS . 67.4 mt -116.43 126.45 53.45 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 109.236 -0.653 . . . . 70.54 109.236 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' SER . 24.3 p -128.51 142.27 51.13 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 107.21 -1.404 . . . . 51.2 107.21 172.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -131.33 150.27 52.22 Favored 'General case' 0 N--CA 1.415 -2.204 0 C-N-CA 119.003 -1.079 . . . . 74.32 110.159 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--O 1.256 1.406 0 N-CA-C 109.109 -0.7 . . . . 73.32 109.109 -178.468 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.503 0.192 . . . . 51.32 110.801 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.488 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 59.5 m -122.77 112.62 18.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.406 -0.961 . . . . 62.24 108.406 173.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.09 155.06 28.83 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.053 -1.462 . . . . 55.21 107.053 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -148.51 137.99 22.01 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.363 -0.535 . . . . 73.32 112.412 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.678 ' SG ' HD21 ' A' ' 29' ' ' LEU . 35.4 m -79.57 105.88 11.19 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.965 -1.016 . . . . 54.13 108.808 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.488 ' HD2' ' HB2' ' B' ' 128' ' ' ARG 0.269 0.4 OUTLIER -113.62 141.28 47.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.314 0.857 . . . . 63.51 113.314 -178.904 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 -2.68 48.01 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.771 -1.104 . . . . 71.05 112.63 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . 0.485 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -160.43 -105.42 0.2 Allowed Glycine 0 N--CA 1.415 -2.748 0 C-N-CA 120.075 -1.059 . . . . 70.34 110.655 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -98.72 179.34 4.7 Favored 'General case' 0 C--N 1.281 -2.403 0 N-CA-C 109.222 -0.659 . . . . 74.21 109.222 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.472 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.3 p . . . . . 0 CA--C 1.484 -1.57 0 N-CA-C 108.627 -0.879 . . . . 74.21 108.627 169.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 53.1 m . . . . . 0 N--CA 1.442 -0.874 0 N-CA-C 107.918 -1.142 . . . . 75.15 107.918 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.564 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.92 118.43 20.93 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.837 -1.172 . . . . 75.13 107.837 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.6 p -114.61 -8.31 12.72 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.596 -1.184 . . . . 72.32 112.587 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.94 163.61 33.24 Favored Glycine 0 N--CA 1.437 -1.295 0 N-CA-C 110.74 -0.944 . . . . 74.1 110.74 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.564 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -141.54 145.42 24.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.282 0.563 . . . . 60.43 111.748 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 7.3 p -145.03 116.9 8.23 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 114.922 -1.035 . . . . 65.54 109.077 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.44 ' HB2' HD22 ' B' ' 126' ' ' LEU . 43.6 tt0 -97.35 108.31 21.01 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.471 -0.937 . . . . 63.31 108.471 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 27' ' ' TYR . 28.8 mt -121.46 128.71 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 115.056 -0.975 . . . . 61.1 109.015 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.8 p 56.12 32.32 19.89 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.606 1.562 . . . . 64.03 113.144 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.05 -0.46 89.01 Favored Glycine 0 C--N 1.321 -0.299 0 C-N-CA 121.21 -0.519 . . . . 72.25 112.651 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.433 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.5 ttm180 -107.56 136.62 47.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 107.665 -1.235 . . . . 61.12 107.665 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.95 119.14 32.45 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 108.266 -1.013 . . . . 71.43 108.266 -176.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.568 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.8 m-85 -98.97 107.17 19.54 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-N 115.803 -0.635 . . . . 75.34 110.26 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.488 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 73.0 mtt85 -92.13 143.67 26.21 Favored 'General case' 0 CA--C 1.478 -1.826 0 CA-C-N 115.446 -0.797 . . . . 72.44 109.115 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.581 HD21 ' SG ' ' A' ' 5' ' ' CYS . 57.3 mt -107.44 132.05 53.62 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.896 -0.593 . . . . 74.22 109.555 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.475 ' HB3' HH21 ' B' ' 106' ' ' ARG . 7.5 p -133.17 141.94 48.37 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.727 -1.583 . . . . 42.13 106.727 169.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -132.37 157.98 43.12 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 118.602 -1.239 . . . . 64.34 111.384 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.488 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 16.4 ptm180 . . . . . 0 N--CA 1.423 -1.795 0 C-N-CA 124.169 0.988 . . . . 73.42 108.767 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 108.468 -0.938 . . . . 74.34 108.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.51 111.38 17.62 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 108.758 -0.83 . . . . 75.24 108.758 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 m -125.27 157.18 37.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 105.751 -1.944 . . . . 55.03 105.751 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -153.27 147.79 26.08 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 120.752 0.311 . . . . 74.51 110.483 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.628 ' SG ' HD21 ' B' ' 129' ' ' LEU . 32.6 m -86.52 103.14 14.76 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.381 -0.827 . . . . 72.35 108.807 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.542 HH11 ' HA ' ' A' ' 9' ' ' ARG . 12.8 ptt180 -91.84 145.0 24.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.991 0.424 . . . . 73.44 110.893 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -96.32 13.35 27.94 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.379 -0.828 . . . . 52.23 110.571 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.85 -111.41 0.25 Allowed Glycine 0 N--CA 1.417 -2.574 0 N-CA-C 109.707 -1.357 . . . . 44.24 109.707 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.542 ' HA ' HH11 ' A' ' 6' ' ' ARG . 15.4 ptt180 -111.63 178.59 4.28 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.766 -0.457 . . . . 62.33 109.766 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 12' ' ' THR . 9.5 p -144.71 165.82 26.98 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.834 -0.802 . . . . 63.14 108.834 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.4 29.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.891 0.853 . . . . 70.14 111.202 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.494 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.0 t -157.86 41.7 0.29 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.307 -1.738 . . . . 60.54 106.307 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -58.77 150.46 23.66 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.999 -1.0 . . . . 74.43 110.73 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 78.13 1.44 2.75 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.679 1.191 . . . . 72.34 112.33 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -103.26 38.75 1.7 Allowed 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 105.687 -1.968 . . . . 71.32 105.687 171.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.665 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.78 119.35 21.87 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 106.514 -1.662 . . . . 72.05 106.514 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -106.2 -12.34 15.76 Favored 'General case' 0 C--N 1.273 -2.743 0 CA-C-N 114.955 -1.02 . . . . 61.45 112.792 -172.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.46 163.68 33.68 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 111.423 -0.671 . . . . 52.4 111.423 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.665 HG13 HD21 ' A' ' 16' ' ' LEU . 7.2 m -139.87 147.82 23.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-O 121.098 0.475 . . . . 75.04 111.235 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.8 p -147.01 119.88 8.7 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 114.611 -1.177 . . . . 64.22 109.047 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.24 108.51 21.25 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.031 -1.47 . . . . 75.23 107.031 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.419 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 35.7 mt -124.23 133.27 69.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 108.24 -1.022 . . . . 74.53 108.24 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p 54.17 32.26 15.59 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.425 1.09 . . . . 61.12 111.873 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.06 -17.32 33.02 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.767 -0.651 . . . . 60.14 113.371 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 40.4 ttm180 -89.58 137.77 32.04 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.771 -0.826 . . . . 74.43 108.771 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 117.54 30.25 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.264 -1.013 . . . . 63.24 108.264 -177.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CE2' HD13 ' B' ' 122' ' ' ILE . 83.8 m-85 -97.11 116.01 28.54 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.122 -0.945 . . . . 62.12 109.597 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 68.4 mtt85 -102.69 143.83 31.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 108.567 -0.901 . . . . 74.43 108.567 177.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD21 ' SG ' ' B' ' 105' ' ' CYS . 48.4 mt -107.5 124.67 50.23 Favored 'General case' 0 C--N 1.254 -3.556 0 N-CA-C 108.446 -0.946 . . . . 73.12 108.446 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 p -129.87 139.66 51.13 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.785 -1.561 . . . . 61.11 106.785 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -137.19 154.84 50.11 Favored 'General case' 0 N--CA 1.42 -1.955 0 C-N-CA 119.032 -1.067 . . . . 61.12 111.148 -169.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.449 0 N-CA-C 108.766 -0.827 . . . . 74.42 108.766 178.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.867 0 N-CA-C 110.469 -0.197 . . . . 42.2 110.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.509 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 89.4 m -114.6 112.47 22.96 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.32 -0.993 . . . . 63.34 108.32 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.6 m -118.68 162.8 17.82 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.959 -1.126 . . . . 73.54 107.959 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -155.49 148.84 24.87 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.656 0.265 . . . . 72.24 110.786 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' A' ' 29' ' ' LEU . 21.5 m -88.53 106.09 18.07 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.308 -0.86 . . . . 71.22 108.78 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.496 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.7 ptt180 -100.42 145.92 27.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.804 0.335 . . . . 72.21 111.226 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -88.9 0.5 56.54 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 122.885 0.474 . . . . 74.01 111.608 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -164.44 -116.19 0.36 Allowed Glycine 0 N--CA 1.421 -2.341 0 N-CA-C 110.419 -1.072 . . . . 64.21 110.419 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.496 ' HA ' HH11 ' B' ' 106' ' ' ARG . 24.9 ptt180 -104.23 167.83 9.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.361 0.601 . . . . 64.44 112.036 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.299 -1.618 0 N-CA-C 107.121 -1.437 . . . . 73.33 107.121 174.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 106.172 -1.788 . . . . 73.42 106.172 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.515 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.38 121.27 24.27 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 105.873 -1.899 . . . . 75.24 105.873 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.9 p -110.15 -19.39 13.05 Favored 'General case' 0 C--N 1.272 -2.787 0 CA-C-N 114.794 -1.094 . . . . 73.31 112.868 -172.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.29 164.4 34.85 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.984 -1.246 . . . . 64.2 109.984 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.515 HG13 HD21 ' B' ' 116' ' ' LEU . 28.4 m -134.75 159.16 41.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-O 121.467 0.651 . . . . 75.41 111.538 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 4.1 p -147.55 119.64 8.26 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-N 114.469 -1.241 . . . . 62.43 109.499 173.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.483 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.7 tm-20 -97.32 122.16 40.04 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 108.061 -1.088 . . . . 72.12 108.061 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 27' ' ' TYR . 29.1 mt -134.12 126.16 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.093 0 CA-C-N 114.551 -1.204 . . . . 54.34 108.592 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.5 p 52.6 32.78 12.31 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 125.249 1.42 . . . . 63.14 113.159 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.97 80.22 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.867 -0.683 . . . . 62.23 112.874 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.411 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 41.5 ttm180 -113.69 138.78 49.74 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.618 -0.882 . . . . 64.43 108.618 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.95 120.24 33.94 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.886 -0.783 . . . . 75.4 108.886 -177.26 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.419 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 83.6 m-85 -101.91 114.68 28.98 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.534 -0.757 . . . . 74.24 109.623 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.433 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.7 mtt85 -96.75 152.07 19.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.65 -0.705 . . . . 72.22 109.893 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.628 HD21 ' SG ' ' A' ' 5' ' ' CYS . 57.0 mt -113.91 123.93 50.95 Favored 'General case' 0 C--N 1.271 -2.845 0 N-CA-C 108.706 -0.85 . . . . 74.31 108.706 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.8 p -129.15 140.43 51.53 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.947 -1.871 . . . . 74.5 105.947 170.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.26 154.38 50.14 Favored 'General case' 0 N--CA 1.418 -2.067 0 C-N-CA 117.817 -1.553 . . . . 62.22 112.203 -168.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.509 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 1.5 ptm180 . . . . . 0 N--CA 1.417 -2.102 0 CA-C-N 114.904 -1.044 . . . . 72.51 109.039 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 120.883 0.373 . . . . 62.34 110.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.05 111.85 18.4 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 106.927 -1.508 . . . . 72.23 106.927 173.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.55 159.86 29.67 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.918 -1.512 . . . . 72.41 106.918 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -155.67 149.14 24.92 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.846 0.355 . . . . 74.44 111.553 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.5 m -87.27 106.61 18.03 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.358 -0.837 . . . . 72.23 109.46 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.553 ' HD2' ' HB2' ' A' ' 28' ' ' ARG 0.284 2.8 ppt_? -109.97 136.52 49.12 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 113.453 0.909 . . . . 73.24 113.453 -179.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.2 p -87.48 7.85 27.49 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 114.384 -1.28 . . . . 71.05 111.864 -172.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.83 -108.64 0.23 Allowed Glycine 0 CA--C 1.459 -3.443 0 N-CA-C 108.305 -1.918 . . . . 75.21 108.305 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -117.57 178.5 4.37 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 109.622 -0.51 . . . . 60.42 109.622 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 6.7 p -146.92 166.18 27.52 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.486 -1.302 . . . . 72.15 107.486 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.16 69.47 5.36 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.64 0.733 . . . . 73.43 110.526 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 168.95 30.74 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 126.727 2.011 . . . . 52.14 106.02 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.79 146.18 17.82 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.401 -0.818 . . . . 74.2 111.333 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.369 0.4 OUTLIER 87.12 -12.64 0.52 Allowed 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 125.141 1.376 . . . . 45.52 112.48 -173.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -90.71 68.94 6.57 Favored 'General case' 0 N--CA 1.414 -2.232 0 N-CA-C 106.375 -1.713 . . . . 63.05 106.375 166.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD21 HG13 ' A' ' 19' ' ' VAL . 3.7 tt -100.27 115.95 31.13 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 105.597 -2.001 . . . . 54.14 105.597 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -103.51 -18.47 14.77 Favored 'General case' 0 C--N 1.267 -3.007 0 CA-C-N 114.756 -1.111 . . . . 73.23 111.491 -171.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 164.49 34.97 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 110.538 -1.025 . . . . 73.41 110.538 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.633 HG13 HD21 ' A' ' 16' ' ' LEU . 12.3 m -138.53 156.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-O 121.415 0.626 . . . . 54.02 111.882 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.3 p -154.0 122.21 6.1 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.473 -1.24 . . . . 32.1 108.979 175.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.06 120.89 39.25 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.851 -1.166 . . . . 71.22 107.851 177.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.517 HD13 ' CE2' ' B' ' 127' ' ' TYR . 34.8 mt -134.04 128.0 52.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 CA-C-N 114.863 -1.062 . . . . 72.0 108.907 -172.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p 54.46 31.96 15.75 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.877 1.671 . . . . 75.2 113.145 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.54 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.713 -0.756 . . . . 73.25 112.866 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -125.69 142.07 51.7 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 108.465 -0.939 . . . . 74.5 108.465 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.04 122.98 37.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 119.835 -0.746 . . . . 71.13 109.296 -176.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 84.4 m-85 -103.98 109.09 20.72 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.477 -0.783 . . . . 72.04 110.305 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 58.0 mtt85 -96.15 139.46 32.28 Favored 'General case' 0 CA--C 1.487 -1.461 0 N-CA-C 108.332 -0.988 . . . . 72.15 108.332 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' B' ' 105' ' ' CYS . 49.6 mt -105.2 117.09 33.12 Favored 'General case' 0 C--N 1.266 -3.049 0 N-CA-C 109.054 -0.721 . . . . 72.5 109.054 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.434 ' HB3' HH21 ' A' ' 6' ' ' ARG . 8.6 p -116.1 142.73 46.43 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.186 -1.042 . . . . 63.42 108.186 173.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 t -136.07 158.6 44.01 Favored 'General case' 0 N--CA 1.411 -2.387 0 C-N-CA 118.97 -1.092 . . . . 73.25 111.125 -172.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.255 1.38 0 CA-C-N 115.324 -0.853 . . . . 65.03 109.2 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 109.724 -0.473 . . . . 72.04 109.724 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 56.6 m -116.41 112.29 21.26 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.452 -0.944 . . . . 72.21 108.452 175.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.3 m -117.16 164.25 15.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.568 -1.271 . . . . 74.03 107.568 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -158.75 150.6 21.09 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.97 -0.381 . . . . 75.42 109.97 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' A' ' 29' ' ' LEU . 34.0 m -91.39 112.98 25.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 123.777 0.673 . . . . 72.33 109.87 -175.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.446 ' HG3' ' HB2' ' B' ' 128' ' ' ARG . 13.1 ptt180 -106.38 147.94 28.66 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.379 -0.373 . . . . 60.41 110.864 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 51.9 p -87.93 -7.71 56.75 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.293 0.568 . . . . 64.4 110.99 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . 0.506 ' HA2' ' NH1' ' B' ' 128' ' ' ARG . . . -162.3 -91.5 0.08 OUTLIER Glycine 0 N--CA 1.414 -2.785 0 N-CA-C 110.524 -1.03 . . . . 53.32 110.524 -176.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -114.28 171.63 7.5 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.389 0.614 . . . . 62.53 111.76 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.304 -1.397 0 N-CA-C 106.885 -1.524 . . . . 61.1 106.885 175.733 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 N--CA 1.432 -1.34 0 N-CA-C 107.221 -1.4 . . . . 74.34 107.221 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.544 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -99.47 123.04 43.39 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.455 -1.683 . . . . 74.2 106.455 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 p -114.26 -9.5 12.83 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 115.56 -0.745 . . . . 73.43 112.774 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.42 163.59 33.57 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 111.213 -0.755 . . . . 71.23 111.213 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.544 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -138.67 144.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 121.567 0.699 . . . . 75.52 111.688 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.86 114.7 8.58 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.892 -1.049 . . . . 75.4 109.443 174.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -97.03 108.78 21.58 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 107.039 -1.467 . . . . 74.04 107.039 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 27' ' ' TYR . 36.0 mt -118.23 129.57 74.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 CA-C-N 114.825 -1.08 . . . . 73.53 108.338 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 63.8 p 53.4 32.37 13.74 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.769 1.228 . . . . 62.33 112.066 -177.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.26 -11.17 63.85 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 115.746 -0.661 . . . . 61.35 113.12 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -95.6 138.69 32.92 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.94 -1.133 . . . . 75.11 107.94 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.441 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.87 122.1 36.01 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 119.184 -1.007 . . . . 60.12 109.01 -175.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.517 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.6 m-85 -103.74 109.71 21.53 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 115.539 -0.755 . . . . 74.42 110.065 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.506 ' NH1' ' HA2' ' B' ' 108' ' ' GLY . 65.0 mtt85 -89.89 150.93 21.99 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.651 -0.87 . . . . 75.33 108.651 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 5' ' ' CYS . 66.7 mt -112.25 125.33 54.04 Favored 'General case' 0 C--N 1.267 -3.001 0 N-CA-C 108.884 -0.784 . . . . 64.32 108.884 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.8 p -125.72 132.01 52.45 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 106.823 -1.547 . . . . 74.45 106.823 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -131.53 151.26 51.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 118.699 -1.2 . . . . 55.01 111.65 -170.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.46 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 16.1 ptm180 . . . . . 0 N--CA 1.426 -1.646 0 CA-C-O 117.938 -1.03 . . . . 74.22 108.754 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 109.31 -0.626 . . . . 52.03 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -112.19 110.87 21.37 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 108.434 -0.95 . . . . 73.32 108.434 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.7 m -122.52 161.16 24.15 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 106.81 -1.552 . . . . 61.32 106.81 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -154.34 153.63 31.97 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.623 0.249 . . . . 74.23 110.845 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.67 ' SG ' HD21 ' B' ' 129' ' ' LEU . 23.8 m -94.01 106.39 18.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.408 -0.814 . . . . 54.12 109.048 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 14.2 ptt180 -99.8 147.92 24.97 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.284 -0.416 . . . . 64.11 111.054 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.6 p -90.21 5.59 46.4 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.381 0.61 . . . . 71.42 111.403 -178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -173.25 -108.73 0.22 Allowed Glycine 0 N--CA 1.424 -2.114 0 N-CA-C 110.295 -1.122 . . . . 64.55 110.295 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HA ' HH11 ' A' ' 6' ' ' ARG . 16.5 ptt180 -100.94 167.6 10.16 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.098 0.475 . . . . 73.01 111.361 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 13.1 p -136.27 167.05 22.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.35 -1.352 . . . . 63.35 107.35 173.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 72.2 1.43 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 118.561 0.619 . . . . 72.51 112.57 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t 178.0 -60.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.79 1.236 . . . . 63.15 110.742 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 15' ' ' SER . 0.5 OUTLIER 61.69 175.42 0.12 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.901 0.881 . . . . 75.33 111.123 -172.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 69.14 -33.29 0.24 Allowed 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 123.975 0.91 . . . . 75.54 112.028 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 13' ' ' ARG . 25.1 p -85.45 32.22 0.57 Allowed 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 125.132 1.373 . . . . 75.33 111.288 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.608 HD21 HG13 ' A' ' 19' ' ' VAL . 4.0 tt -78.27 117.24 19.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.016 -1.846 . . . . 74.3 106.016 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -109.91 -6.63 15.15 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 114.84 -1.073 . . . . 55.53 112.145 -172.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.76 163.6 33.35 Favored Glycine 0 N--CA 1.423 -2.221 0 C-N-CA 120.218 -0.992 . . . . 52.04 111.971 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.608 HG13 HD21 ' A' ' 16' ' ' LEU . 7.4 m -141.69 145.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 123.233 0.613 . . . . 52.21 111.069 177.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -144.93 121.61 11.15 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.031 -0.986 . . . . 74.25 109.245 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' HD22 ' A' ' 26' ' ' LEU . 44.6 tt0 -97.86 110.65 23.18 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.073 -1.084 . . . . 63.31 108.073 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -123.25 135.14 64.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 115.164 -0.926 . . . . 72.13 108.521 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 52.59 31.84 10.72 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.791 1.237 . . . . 73.33 111.582 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.24 83.86 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.593 -0.731 . . . . 51.41 113.217 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -107.67 142.47 37.59 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.926 -1.138 . . . . 73.44 107.926 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 125.95 38.81 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.086 -1.046 . . . . 64.11 109.424 -176.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 78.7 m-85 -107.04 118.56 37.02 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 115.026 -0.988 . . . . 72.14 110.142 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.3 mtt85 -100.07 152.25 20.44 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-N 115.318 -0.855 . . . . 71.3 108.863 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.611 HD21 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.69 126.53 54.98 Favored 'General case' 0 C--N 1.268 -2.948 0 N-CA-C 109.177 -0.675 . . . . 62.3 109.177 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.24 142.02 48.33 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.86 -1.904 . . . . 62.32 105.86 171.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -127.93 148.77 50.51 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 118.609 -1.236 . . . . 72.33 110.715 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--N 1.308 -1.203 0 CA-C-N 115.612 -0.722 . . . . 75.11 109.675 -175.874 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.298 -0.26 . . . . 63.33 110.298 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 88.2 m -132.78 113.14 12.59 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.944 -0.761 . . . . 75.41 108.944 175.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 11.1 m -130.52 164.05 25.7 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.404 -1.702 . . . . 72.23 106.404 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 35.0 p90 -157.54 153.4 26.9 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.478 0.581 . . . . 74.31 112.153 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 29' ' ' LEU . 18.3 m -87.22 102.48 14.52 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.084 -0.962 . . . . 71.54 110.097 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 11.4 ptt180 -101.81 141.26 34.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.763 0.316 . . . . 74.21 111.071 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 63.4 p -89.36 5.15 46.4 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.409 0.623 . . . . 71.42 111.313 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . 0.547 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -162.51 -116.3 0.38 Allowed Glycine 0 N--CA 1.427 -1.959 0 N-CA-C 108.885 -1.686 . . . . 71.33 108.885 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.442 ' HA ' HH11 ' B' ' 106' ' ' ARG . 40.1 ptt180 -103.08 177.66 4.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.794 -0.817 . . . . 75.11 108.794 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.441 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 13.5 p . . . . . 0 C--N 1.3 -1.562 0 N-CA-C 109.031 -0.729 . . . . 64.14 109.031 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 34.6 t . . . . . 0 N--CA 1.414 -2.243 0 CA-C-O 121.185 0.517 . . . . 74.15 111.584 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.595 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -87.75 116.77 26.13 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.383 -2.451 . . . . 65.35 104.383 170.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.9 p -107.4 -11.36 15.54 Favored 'General case' 0 C--N 1.273 -2.733 0 N-CA-C 112.969 0.729 . . . . 54.24 112.969 -172.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.74 163.83 33.71 Favored Glycine 0 N--CA 1.422 -2.257 0 N-CA-C 110.603 -0.999 . . . . 74.02 110.603 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.595 HG13 HD21 ' B' ' 116' ' ' LEU . 9.6 m -137.02 150.3 26.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 CA-C-O 121.619 0.723 . . . . 62.44 110.859 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.47 121.14 8.61 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 114.729 -1.123 . . . . 71.43 109.169 175.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.56 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.6 tm-20 -97.77 119.2 35.93 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.959 -1.126 . . . . 63.01 107.959 177.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.411 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 30.8 mt -135.87 136.21 50.13 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 N-CA-C 107.144 -1.428 . . . . 75.43 107.144 -172.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.4 p 53.03 31.45 11.12 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 124.729 1.212 . . . . 72.42 112.253 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.04 11.54 84.71 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.681 -0.771 . . . . 71.52 112.574 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -120.53 141.15 50.52 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.769 -1.197 . . . . 71.42 107.769 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.85 125.97 38.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 119.358 -0.937 . . . . 61.24 109.013 -176.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -108.13 113.99 27.54 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 115.147 -0.933 . . . . 65.24 110.434 176.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 72.0 mtt85 -96.17 147.07 24.14 Favored 'General case' 0 CA--C 1.475 -1.92 0 N-CA-C 108.223 -1.029 . . . . 74.43 108.223 176.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.67 HD21 ' SG ' ' A' ' 5' ' ' CYS . 59.3 mt -108.63 120.13 41.55 Favored 'General case' 0 C--N 1.253 -3.606 0 N-CA-C 108.442 -0.947 . . . . 74.41 108.442 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' B' ' 115' ' ' SER . 24.5 p -116.55 142.46 46.86 Favored 'General case' 0 CA--C 1.48 -1.736 0 N-CA-C 106.713 -1.588 . . . . 61.15 106.713 172.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.83 145.86 44.96 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 118.687 -1.205 . . . . 72.14 109.882 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 118.232 -0.89 . . . . 74.32 110.343 -178.429 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.647 0 N-CA-C 109.687 -0.486 . . . . 60.55 109.687 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 111.92 11.08 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 109.668 -0.493 . . . . 64.32 109.668 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.7 m -128.61 167.06 17.71 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 106.666 -1.605 . . . . 62.11 106.666 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -160.23 157.55 28.42 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 117.856 0.298 . . . . 70.43 110.813 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.632 ' SG ' HD21 ' B' ' 129' ' ' LEU . 31.0 m -94.72 100.26 12.21 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.001 -0.74 . . . . 61.05 109.001 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.82 ' HD3' ' SG ' ' A' ' 30' ' ' CYS . 15.8 ptt180 -91.75 147.07 23.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.056 -0.72 . . . . 74.11 109.056 -178.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.3 p -90.5 4.54 50.83 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 120.838 0.351 . . . . 71.13 111.906 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.477 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -169.35 -87.3 0.07 OUTLIER Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.495 -0.859 . . . . 64.44 110.964 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.537 ' C ' ' HD2' ' A' ' 6' ' ' ARG . 39.7 ptt180 -124.95 174.14 8.18 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.357 -0.609 . . . . 71.33 109.357 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' NH1' ' A' ' 6' ' ' ARG . 23.3 p -146.31 169.77 18.13 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.453 -1.314 . . . . 70.51 107.453 177.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.0 -25.08 64.33 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.738 -0.468 . . . . 71.42 109.738 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 12' ' ' THR . 9.6 t -86.84 82.75 7.71 Favored 'General case' 0 N--CA 1.418 -2.028 0 N-CA-C 107.362 -1.347 . . . . 62.25 107.362 169.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -60.94 123.76 18.52 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 114.277 1.214 . . . . 73.13 114.277 -173.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 59.49 23.57 12.19 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 113.32 -1.764 . . . . 73.53 115.428 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -83.5 46.3 1.14 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.391 -1.337 . . . . 73.11 107.391 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 19' ' ' VAL . 3.8 tt -80.11 122.98 27.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 125.376 1.47 . . . . 72.31 108.267 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -116.91 -7.24 11.43 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.811 -1.086 . . . . 74.43 112.159 -175.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.21 164.27 34.7 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 110.967 -0.853 . . . . 74.51 110.967 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.525 HG13 HD21 ' A' ' 16' ' ' LEU . 5.2 m -143.23 153.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.591 0.71 . . . . 72.32 111.867 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -153.62 117.71 4.81 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 114.706 -1.134 . . . . 70.13 109.566 175.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.551 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.0 119.37 35.34 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 107.946 -1.131 . . . . 54.5 107.946 178.291 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.411 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 35.0 mt -132.27 126.29 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.191 0 CA-C-N 114.18 -1.373 . . . . 64.23 108.428 -172.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 54.25 32.53 16.31 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 125.468 1.507 . . . . 53.15 113.497 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.65 79.13 Favored Glycine 0 C--O 1.239 0.41 0 C-N-CA 121.259 -0.496 . . . . 54.15 112.892 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -108.83 137.29 46.99 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.482 -0.932 . . . . 75.5 108.482 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.03 116.58 29.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.345 -0.983 . . . . 65.51 108.345 -176.221 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE2' HD13 ' B' ' 122' ' ' ILE . 83.9 m-85 -96.01 115.05 26.83 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.661 -0.7 . . . . 64.42 110.113 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 62.5 mtt85 -100.69 141.76 33.11 Favored 'General case' 0 CA--C 1.47 -2.098 0 CA-C-N 115.306 -0.861 . . . . 73.24 109.385 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.612 HD21 ' SG ' ' B' ' 105' ' ' CYS . 46.5 mt -105.16 113.78 27.58 Favored 'General case' 0 C--N 1.26 -3.32 0 N-CA-C 108.36 -0.978 . . . . 50.24 108.36 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.82 ' SG ' ' HD3' ' A' ' 6' ' ' ARG . 13.9 p -119.01 125.16 48.72 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.703 -1.221 . . . . 74.24 107.703 172.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -116.7 152.76 33.63 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.531 -0.914 . . . . 61.14 108.531 -173.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 . . . . . 0 C--N 1.315 -0.894 0 C-N-CA 119.397 -0.921 . . . . 72.12 111.664 -174.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.794 0 CA-C-O 120.976 0.417 . . . . 74.11 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.421 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 94.4 m -128.37 112.69 14.69 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.795 -0.817 . . . . 55.23 108.795 172.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.11 162.11 18.73 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 106.743 -1.577 . . . . 75.1 106.743 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -155.25 146.78 23.04 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 120.592 0.234 . . . . 73.41 110.479 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.612 ' SG ' HD21 ' A' ' 29' ' ' LEU . 31.8 m -84.82 104.15 14.53 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.444 -0.798 . . . . 54.02 109.665 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.471 HH11 ' HA ' ' B' ' 109' ' ' ARG . 11.1 ptt180 -97.95 144.23 27.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.285 -0.416 . . . . 73.33 110.533 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -90.05 0.74 56.97 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.408 0.623 . . . . 53.22 110.644 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -160.31 -108.51 0.24 Allowed Glycine 0 N--CA 1.417 -2.63 0 N-CA-C 109.703 -1.359 . . . . 73.34 109.703 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.471 ' HA ' HH11 ' B' ' 106' ' ' ARG . 36.1 ptt180 -116.61 178.11 4.45 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.446 0.641 . . . . 73.44 111.725 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.297 -1.686 0 N-CA-C 106.225 -1.769 . . . . 62.25 106.225 177.551 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.425 -1.677 0 N-CA-C 112.926 0.713 . . . . 63.24 112.926 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.615 HD21 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -100.89 113.98 27.43 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 105.405 -2.072 . . . . 50.23 105.405 170.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 39.4 p -107.79 -7.41 16.33 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.827 -0.624 . . . . 73.05 112.646 -171.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.75 163.52 33.23 Favored Glycine 0 N--CA 1.425 -2.094 0 C-N-CA 120.535 -0.84 . . . . 64.5 111.416 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.615 HG13 HD21 ' B' ' 116' ' ' LEU . 4.5 m -142.12 147.09 21.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 C-N-CA 123.332 0.653 . . . . 71.0 110.866 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 p -145.13 117.89 8.69 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-N 114.8 -1.091 . . . . 73.32 109.275 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -97.14 108.32 21.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.872 -1.159 . . . . 71.42 107.872 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.475 HD13 ' CE2' ' A' ' 27' ' ' TYR . 44.1 mt -123.31 131.74 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 CA-C-N 114.5 -1.227 . . . . 74.1 108.83 -172.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 59.6 p 53.44 32.26 13.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.616 1.166 . . . . 62.41 111.706 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.07 -17.85 44.12 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.624 -0.716 . . . . 70.23 113.116 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -93.7 140.61 29.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 108.982 -0.747 . . . . 64.35 108.982 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.435 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.74 119.21 32.43 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 108.474 -0.935 . . . . 61.22 108.474 -176.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.411 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 94.4 m-85 -101.68 119.74 39.25 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.368 -0.833 . . . . 61.15 109.303 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.44 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 59.7 mtt85 -101.58 154.56 18.75 Favored 'General case' 0 CA--C 1.474 -1.957 0 CA-C-N 116.061 -0.518 . . . . 75.23 109.681 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.632 HD21 ' SG ' ' A' ' 5' ' ' CYS . 51.9 mt -118.08 125.47 50.37 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 115.761 -0.654 . . . . 75.12 109.35 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.0 p -123.95 141.16 52.28 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.206 -1.405 . . . . 71.55 107.206 169.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 6.6 t -140.01 150.98 45.09 Favored 'General case' 0 N--CA 1.423 -1.776 0 C-N-CA 118.369 -1.332 . . . . 75.2 110.597 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.421 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 26.2 ptt180 . . . . . 0 N--CA 1.433 -1.31 0 CA-C-O 118.547 -0.74 . . . . 74.3 109.833 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 109.926 -0.398 . . . . 63.51 109.926 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m -125.25 111.96 15.84 Favored 'General case' 0 N--CA 1.423 -1.803 0 N-CA-C 107.911 -1.144 . . . . 72.33 107.911 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.56 160.79 27.58 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 105.815 -1.92 . . . . 73.34 105.815 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.467 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 31.9 p90 -153.92 154.85 34.57 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 118.406 0.548 . . . . 72.32 112.213 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.68 ' SG ' HD21 ' B' ' 129' ' ' LEU . 21.4 m -91.98 110.52 21.88 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.955 -1.021 . . . . 32.41 109.227 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.504 ' HD3' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -121.21 149.95 42.07 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.358 -0.978 . . . . 73.35 108.358 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.503 HG21 ' NE ' ' A' ' 25' ' ' ARG . 41.4 p -90.34 11.03 22.63 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 121.269 0.557 . . . . 73.22 112.374 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -159.4 -115.52 0.41 Allowed Glycine 0 N--CA 1.421 -2.362 0 N-CA-C 110.48 -1.048 . . . . 75.44 110.48 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HD2' ' CZ ' ' A' ' 13' ' ' ARG . 36.0 ptt180 -105.66 171.52 7.29 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 109.797 -0.446 . . . . 75.34 109.797 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 30.4 p -141.16 164.25 30.76 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 120.723 -0.391 . . . . 73.43 110.39 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.24 82.8 1.36 Allowed 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.433 0.635 . . . . 62.03 112.218 -177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 10.7 t 166.65 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 126.062 1.745 . . . . 54.33 107.672 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.431 ' CZ ' ' HD2' ' A' ' 9' ' ' ARG . 55.9 mmt-85 60.38 -173.97 0.12 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.911 1.284 . . . . 71.23 111.146 -178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 67.94 -43.04 0.47 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.076 1.88 . . . . 65.21 116.076 170.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -91.97 90.4 7.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.192 0.52 . . . . 55.21 111.521 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -100.2 109.53 21.77 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 104.616 -2.365 . . . . 75.34 104.616 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 p -103.98 -9.53 18.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 115.271 -0.877 . . . . 64.52 112.8 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.01 164.16 34.05 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 110.999 -0.841 . . . . 65.42 110.999 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG13 HD21 ' A' ' 16' ' ' LEU . 5.9 m -142.01 145.93 23.4 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.259 0.552 . . . . 74.24 111.22 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -144.96 119.48 9.7 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.852 -1.067 . . . . 74.31 109.47 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.25 122.55 40.39 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.709 -1.219 . . . . 63.31 107.709 178.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -133.72 128.67 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 CA-C-N 114.338 -1.301 . . . . 75.34 108.003 -172.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.9 p 51.68 32.05 8.76 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 125.697 1.599 . . . . 73.51 113.428 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.61 72.25 Favored Glycine 0 C--O 1.241 0.562 0 C-N-CA 120.728 -0.748 . . . . 71.44 112.574 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NE ' HG21 ' A' ' 7' ' ' THR . 61.4 ttt180 -127.69 137.92 52.64 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 106.97 -1.492 . . . . 70.11 106.97 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.33 120.51 34.68 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.989 -0.684 . . . . 65.25 109.866 -173.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 70.4 m-85 -100.91 116.86 33.77 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.771 -0.65 . . . . 74.11 110.236 174.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 75.3 mtt85 -96.25 152.96 18.09 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.821 -0.807 . . . . 63.13 108.821 176.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.652 HD21 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.09 133.05 55.8 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.39 -0.967 . . . . 70.42 108.39 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.11 142.84 48.91 Favored 'General case' 0 CA--C 1.479 -1.776 0 N-CA-C 106.182 -1.785 . . . . 64.13 106.182 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -133.85 140.06 46.63 Favored 'General case' 0 N--CA 1.414 -2.259 0 C-N-CA 117.948 -1.501 . . . . 74.52 111.832 -174.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.256 1.408 0 CA-C-N 114.817 -1.083 . . . . 61.15 109.561 -178.348 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.422 0 CA-C-O 120.74 0.305 . . . . 63.14 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.4 m -114.46 111.18 21.01 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 108.279 -1.008 . . . . 71.2 108.279 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 44.9 m -122.02 158.09 29.92 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.212 -1.403 . . . . 31.2 107.212 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -154.82 146.87 23.63 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.178 0.513 . . . . 60.52 112.139 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' CYS . . . . . 0.652 ' SG ' HD21 ' A' ' 29' ' ' LEU . 22.8 m -86.13 123.94 31.99 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 114.597 -1.183 . . . . 64.44 108.332 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' B' ' 106' ' ' ARG . 0.0 OUTLIER -132.98 151.05 52.11 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.392 -0.596 . . . . 62.42 109.392 178.187 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 38.9 p -85.01 0.12 52.52 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 112.456 0.539 . . . . 71.41 112.456 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.55 -121.4 0.78 Allowed Glycine 0 N--CA 1.425 -2.096 0 N-CA-C 110.236 -1.145 . . . . 64.04 110.236 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -98.6 178.37 5.02 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.701 -0.852 . . . . 73.55 108.701 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.304 -1.395 0 N-CA-C 109.361 -0.607 . . . . 71.33 109.361 178.585 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.419 -1.981 0 N-CA-C 113.678 0.992 . . . . 73.32 113.678 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.403 HD21 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -90.28 112.01 23.4 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 103.323 -2.843 . . . . 70.12 103.323 166.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 28.9 p -105.24 -9.39 17.71 Favored 'General case' 0 C--N 1.27 -2.864 0 N-CA-C 113.715 1.006 . . . . 51.1 113.715 -167.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.19 164.34 34.2 Favored Glycine 0 N--CA 1.419 -2.477 0 C-N-CA 120.334 -0.936 . . . . 53.04 111.066 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.403 HG13 HD21 ' B' ' 116' ' ' LEU . 5.2 m -136.98 144.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 123.157 0.583 . . . . 70.1 110.29 175.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.5 p -142.99 117.17 9.52 Favored 'General case' 0 C--N 1.278 -2.53 0 CA-C-N 115.253 -0.885 . . . . 43.53 109.224 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.488 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.51 121.86 39.91 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 107.498 -1.297 . . . . 74.12 107.498 178.412 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' ILE . . . . . 0.431 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 28.4 mt -134.74 131.72 53.76 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 114.385 -1.279 . . . . 72.52 107.886 -172.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.6 p 53.47 31.27 11.92 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.176 1.39 . . . . 73.2 113.287 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.48 71.64 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.079 -0.581 . . . . 24.35 111.652 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ARG . . . . . 0.474 ' HE ' HG21 ' B' ' 107' ' ' THR . 77.5 ttt180 -131.57 136.16 47.58 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.65 -1.611 . . . . 71.03 106.65 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -94.16 128.28 40.49 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.207 -0.997 . . . . 75.34 109.64 -175.101 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.2 m-85 -111.9 106.69 15.47 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.448 -0.796 . . . . 72.55 110.237 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.405 ' C ' ' HE ' ' B' ' 106' ' ' ARG . 54.1 mtt85 -86.95 153.77 21.32 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 108.656 -0.868 . . . . 75.23 108.656 175.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.68 HD21 ' SG ' ' A' ' 5' ' ' CYS . 70.2 mt -115.94 131.73 56.85 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 109.034 -0.728 . . . . 75.32 109.034 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 28.2 p -133.38 143.47 48.96 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 106.177 -1.786 . . . . 75.12 106.177 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.1 t -139.13 152.29 47.35 Favored 'General case' 0 N--CA 1.413 -2.303 0 C-N-CA 118.745 -1.182 . . . . 62.33 110.669 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.421 -1.883 0 CA-C-O 118.066 -0.969 . . . . 71.3 108.894 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 109.008 -0.738 . . . . 61.35 109.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.495 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 41.1 m -118.52 111.98 19.31 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 108.607 -0.886 . . . . 74.13 108.607 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 m -120.11 163.66 17.35 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.616 -1.253 . . . . 74.12 107.616 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.96 146.76 22.07 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.726 0.298 . . . . 73.04 110.95 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.641 ' SG ' HD21 ' B' ' 129' ' ' LEU . 22.1 m -91.37 106.97 18.88 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.397 -0.819 . . . . 71.44 109.644 -174.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.561 ' NH1' ' HA ' ' A' ' 9' ' ' ARG 0.285 3.0 ppt_? -112.81 143.47 44.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 114.004 1.112 . . . . 61.32 114.004 -179.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 35.7 p -84.73 -7.28 59.27 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.222 -0.899 . . . . 63.5 112.725 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.34 -86.67 0.07 OUTLIER Glycine 0 CA--C 1.474 -2.53 0 C-N-CA 120.165 -1.016 . . . . 51.43 111.055 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.561 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 29.2 ptt180 -136.46 174.63 10.41 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 122.634 0.374 . . . . 73.25 110.093 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 8.3 p -142.87 165.19 28.05 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.718 -0.475 . . . . 73.02 109.718 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.43 82.82 1.45 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.407 0.623 . . . . 63.24 110.909 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 164.76 -20.55 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 126.099 1.76 . . . . 72.43 107.218 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 60.32 -96.41 0.06 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.952 1.464 . . . . 62.22 114.952 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.259 42.1 mt-10 -84.18 77.28 9.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.917 1.342 . . . . 74.4 113.325 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 33.8 t -139.68 25.32 2.38 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.003 -2.221 . . . . 74.34 105.003 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 19' ' ' VAL . 3.9 tt -78.07 113.36 15.93 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 106.607 -1.627 . . . . 61.52 106.607 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -113.4 -4.39 13.63 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.193 -1.367 . . . . 70.34 112.184 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.55 162.3 31.59 Favored Glycine 0 N--CA 1.428 -1.862 0 N-CA-C 111.121 -0.792 . . . . 75.43 111.121 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 16' ' ' LEU . 15.9 m -140.37 150.97 21.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.349 0.595 . . . . 63.41 112.051 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 p -152.44 120.9 6.37 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.912 -1.04 . . . . 64.43 109.206 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.61 120.46 38.04 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.132 -1.027 . . . . 73.14 108.373 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.419 HD12 HD12 ' B' ' 122' ' ' ILE . 17.8 mt -136.75 132.17 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.996 0 CA-C-N 114.153 -1.385 . . . . 72.12 107.61 -173.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 p 53.04 31.99 12.13 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 125.15 1.38 . . . . 61.35 113.511 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.21 -1.63 80.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.629 -0.796 . . . . 41.3 112.043 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -111.16 139.85 46.2 Favored 'General case' 0 CA--C 1.457 -2.632 0 CA-C-O 121.304 0.573 . . . . 72.42 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.57 112.69 24.45 Favored 'General case' 0 C--N 1.263 -3.172 0 N-CA-C 106.909 -1.515 . . . . 55.05 106.909 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' HD13 ' B' ' 122' ' ' ILE . 69.1 m-85 -93.87 102.1 14.21 Favored 'General case' 0 C--N 1.273 -2.758 0 CA-C-O 122.011 0.91 . . . . 73.22 110.796 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.0 mtt85 -91.06 138.18 31.8 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.081 -1.418 . . . . 73.14 108.201 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' SG ' ' B' ' 105' ' ' CYS . 52.4 mt -104.9 127.61 52.79 Favored 'General case' 0 C--N 1.262 -3.221 0 CA-C-N 115.617 -0.72 . . . . 54.31 109.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' SER . 6.9 p -129.73 142.65 50.67 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.582 -1.266 . . . . 71.24 107.582 171.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -137.69 164.06 29.76 Favored 'General case' 0 N--CA 1.418 -2.042 0 C-N-CA 118.794 -1.162 . . . . 72.44 111.002 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 27.3 ptt180 . . . . . 0 C--O 1.257 1.469 0 N-CA-C 108.944 -0.762 . . . . 72.52 108.944 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.09 -0.337 . . . . 62.24 110.09 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.425 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 62.1 m -128.38 113.01 15.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.775 -0.824 . . . . 43.14 108.775 174.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 23.7 m -124.62 166.83 15.42 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 106.15 -1.796 . . . . 74.03 106.15 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -160.1 156.31 26.61 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 117.953 0.342 . . . . 73.51 111.105 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.544 ' SG ' HD11 ' A' ' 29' ' ' LEU . 24.4 m -90.44 116.0 28.03 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.589 -0.732 . . . . 33.12 109.618 -175.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.5 ptt180 -109.79 143.54 39.49 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.656 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 35.8 p -87.29 -3.84 59.05 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.423 0.63 . . . . 73.11 111.31 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.519 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -166.79 -103.9 0.17 Allowed Glycine 0 N--CA 1.419 -2.487 0 N-CA-C 108.748 -1.741 . . . . 62.03 108.748 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.409 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.3 ptt180 -106.29 166.87 10.22 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.345 -0.542 . . . . 74.21 110.998 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.7 p -139.01 166.63 24.0 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 107.598 -1.26 . . . . 74.45 107.598 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.453 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -72.82 85.44 1.24 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.503 0.668 . . . . 54.11 111.78 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 14.4 t 166.46 -28.99 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 125.325 1.45 . . . . 72.53 107.451 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 61.85 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.359 0.991 0 N-CA-C 114.512 1.301 . . . . 74.41 114.512 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.11 86.76 4.25 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 121.569 0.699 . . . . 75.0 112.63 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.6 t -175.87 66.8 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 113.931 -1.486 . . . . 63.03 107.411 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.587 HD21 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -99.76 109.29 21.74 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.53 -1.656 . . . . 75.23 106.53 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.0 p -107.22 -9.53 16.08 Favored 'General case' 0 C--N 1.269 -2.91 0 CA-C-N 114.163 -1.381 . . . . 64.55 112.39 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.34 163.93 34.13 Favored Glycine 0 N--CA 1.42 -2.393 0 C-N-CA 120.404 -0.903 . . . . 31.31 111.059 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.587 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -143.09 143.1 25.34 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 123.367 0.667 . . . . 75.03 111.259 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.2 p -144.37 122.02 11.83 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 115.031 -0.986 . . . . 74.23 110.0 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -97.17 114.99 26.75 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.272 -1.381 . . . . 55.02 107.272 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.498 HD13 ' CE2' ' A' ' 27' ' ' TYR . 22.0 mt -135.62 140.47 44.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 107.387 -1.338 . . . . 74.15 107.387 -174.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.9 p 53.76 31.82 13.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.719 1.208 . . . . 70.11 111.744 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.06 8.29 78.33 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.477 -0.783 . . . . 43.44 113.462 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -116.21 146.22 42.5 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 107.735 -1.209 . . . . 74.5 107.735 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.56 123.22 37.86 Favored 'General case' 0 N--CA 1.432 -1.339 0 C-N-CA 118.895 -1.122 . . . . 64.33 109.48 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' B' ' 122' ' ' ILE . 97.6 m-85 -103.97 112.94 26.14 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 115.493 -0.776 . . . . 75.35 109.559 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.7 mtt85 -93.27 153.27 18.68 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 108.953 -0.758 . . . . 54.22 108.953 176.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.641 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.5 mt -112.24 125.35 54.06 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 108.354 -0.98 . . . . 74.23 108.354 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.2 134.55 54.71 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.009 -1.108 . . . . 71.44 108.009 172.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 11.2 t -133.51 159.56 40.04 Favored 'General case' 0 N--CA 1.406 -2.632 0 C-N-CA 119.979 -0.689 . . . . 64.23 109.271 -173.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.425 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 25.8 ptt180 . . . . . 0 N--CA 1.424 -1.764 0 O-C-N 123.527 0.517 . . . . 71.11 110.726 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 109.47 -0.567 . . . . 72.04 109.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m -122.74 112.14 17.57 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.298 -1.001 . . . . 75.34 108.298 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.1 m -122.36 165.26 16.56 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.924 -1.51 . . . . 75.22 106.924 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -158.4 151.4 22.62 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 120.547 0.213 . . . . 72.51 110.904 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.9 m -89.21 105.1 17.57 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 123.939 0.775 . . . . 64.54 109.703 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.1 ptt180 -99.81 154.2 18.52 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.497 . . . . 74.12 110.569 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' ' HD3' ' A' ' 25' ' ' ARG . 60.0 p -97.57 -7.19 31.81 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.368 0.604 . . . . 71.31 111.038 -177.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -155.23 -109.56 0.33 Allowed Glycine 0 N--CA 1.423 -2.223 0 N-CA-C 109.708 -1.357 . . . . 35.34 109.708 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.466 ' HA ' HH11 ' A' ' 6' ' ' ARG . 14.9 ptp180 -107.42 170.87 7.71 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 117.027 0.413 . . . . 34.23 110.779 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 26.1 p -146.77 166.33 26.96 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 122.216 -0.302 . . . . 74.31 110.216 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.17 90.11 1.55 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.568 0.699 . . . . 62.21 111.574 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t 167.73 -39.03 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 126.563 1.945 . . . . 74.45 106.255 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 59.84 136.04 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 N-CA-C 116.674 2.102 . . . . 63.22 116.674 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 69.78 -15.04 0.33 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 115.434 1.642 . . . . 64.53 115.434 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.4 t -77.25 76.36 3.8 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 121.93 0.872 . . . . 34.13 109.175 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -101.2 116.96 34.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 105.619 -1.993 . . . . 74.23 105.619 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 p -108.53 -15.8 14.35 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-N 115.474 -0.784 . . . . 64.24 112.757 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.23 164.39 34.87 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 110.471 -1.052 . . . . 62.02 110.471 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.574 HG13 HD21 ' A' ' 16' ' ' LEU . 12.5 m -139.98 152.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-O 121.603 0.716 . . . . 75.03 111.938 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -148.06 120.03 8.21 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 114.574 -1.194 . . . . 75.51 109.302 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HB2' HD22 ' A' ' 26' ' ' LEU . 2.1 tm-20 -97.41 120.64 38.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.126 -1.064 . . . . 75.51 108.126 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' B' ' 127' ' ' TYR . 24.4 mt -136.72 133.31 48.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-N 114.652 -1.158 . . . . 74.14 107.966 -172.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 53.53 31.07 11.69 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.45 1.5 . . . . 72.3 113.128 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.64 -0.77 88.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.025 -0.607 . . . . 72.01 112.369 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 43.1 ttm180 -111.75 141.31 45.53 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 108.466 -0.939 . . . . 62.35 108.466 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.94 121.79 35.77 Favored 'General case' 0 N--CA 1.427 -1.622 0 N-CA-C 108.53 -0.915 . . . . 71.1 108.53 -177.476 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CE2' HD13 ' B' ' 122' ' ' ILE . 79.5 m-85 -101.6 110.16 22.1 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 115.538 -0.756 . . . . 75.34 110.128 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.48 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.8 mtt85 -92.77 151.19 20.16 Favored 'General case' 0 CA--C 1.474 -1.965 0 CA-C-N 115.143 -0.935 . . . . 65.12 109.183 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD21 ' SG ' ' B' ' 105' ' ' CYS . 58.7 mt -112.55 126.41 55.32 Favored 'General case' 0 N--CA 1.394 -3.241 0 N-CA-C 108.868 -0.789 . . . . 72.41 108.868 178.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 p -126.52 142.28 51.59 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 106.966 -1.494 . . . . 54.43 106.966 171.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.2 t -138.65 155.99 47.81 Favored 'General case' 0 N--CA 1.414 -2.26 0 C-N-CA 118.396 -1.322 . . . . 62.23 110.993 -172.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.464 0 CA-C-N 115.368 -0.833 . . . . 70.13 109.45 -178.714 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 110.507 -0.183 . . . . 54.22 110.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.523 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 55.7 m -115.91 112.6 22.12 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.5 -1.296 . . . . 64.25 107.5 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 m -123.38 167.44 13.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.783 -1.192 . . . . 34.43 107.783 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -162.67 150.61 13.98 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 120.749 0.309 . . . . 74.52 111.14 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.576 ' SG ' HD21 ' A' ' 29' ' ' LEU . 27.7 m -85.84 130.0 34.67 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.382 -0.826 . . . . 60.02 108.893 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.563 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 1.1 ppt_? -140.61 138.25 34.26 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-O 121.732 0.777 . . . . 71.14 112.78 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 46.5 p -80.29 -11.75 59.68 Favored 'General case' 0 C--N 1.278 -2.5 0 CA-C-N 114.884 -1.053 . . . . 62.21 112.989 -172.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -146.01 -113.32 0.81 Allowed Glycine 0 CA--C 1.464 -3.096 0 N-CA-C 108.92 -1.672 . . . . 71.52 108.92 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -102.61 178.68 4.51 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 108.66 -0.867 . . . . 64.13 108.66 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.563 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 26.9 p -144.43 162.14 37.25 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.81 -0.441 . . . . 71.02 109.81 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.18 84.35 1.35 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.294 0.569 . . . . 70.03 111.385 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 10.2 t 166.44 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 126.064 1.745 . . . . 65.42 108.291 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 53.49 -167.48 0.06 Allowed 'General case' 0 C--N 1.37 1.457 0 C-N-CA 123.204 0.602 . . . . 74.34 112.265 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 70.69 -69.87 0.17 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.29 1.036 . . . . 74.33 113.382 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 45.8 t -75.14 87.15 2.42 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 113.758 1.022 . . . . 72.42 113.758 -171.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.464 HD21 HG13 ' B' ' 119' ' ' VAL . 4.8 tt -100.76 106.74 18.18 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 103.947 -2.612 . . . . 74.1 103.947 166.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.6 p -109.99 -5.71 15.37 Favored 'General case' 0 C--N 1.262 -3.222 0 CA-C-N 114.556 -1.202 . . . . 62.44 112.624 -169.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.22 163.78 33.32 Favored Glycine 0 N--CA 1.42 -2.389 0 N-CA-C 110.847 -0.901 . . . . 24.15 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.464 HG13 HD21 ' B' ' 116' ' ' LEU . 6.3 m -141.3 147.13 22.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 123.466 0.706 . . . . 71.2 110.131 175.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.8 p -149.47 117.81 6.46 Favored 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 115.227 -0.897 . . . . 65.32 109.046 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.606 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.4 OUTLIER -97.22 120.91 38.46 Favored 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 107.741 -1.207 . . . . 55.34 107.741 178.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.422 HD13 ' CE2' ' A' ' 27' ' ' TYR . 33.0 mt -133.49 128.17 54.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 114.485 -1.234 . . . . 72.14 108.931 -171.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.2 p 54.02 32.12 14.91 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.201 1.4 . . . . 54.31 113.301 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.23 6.18 71.7 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.803 -0.713 . . . . 50.11 112.742 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.488 ' HD3' HG21 ' B' ' 107' ' ' THR . 38.7 ttm180 -123.01 141.48 51.91 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 108.262 -1.014 . . . . 75.5 108.262 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.1 OUTLIER -93.58 125.41 38.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.366 -0.976 . . . . 55.2 108.366 -175.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 22' ' ' ILE . 82.5 m-85 -107.84 102.38 11.59 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 121.522 0.677 . . . . 73.34 110.642 176.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 64.3 mtt85 -84.41 150.64 25.19 Favored 'General case' 0 CA--C 1.482 -1.663 0 N-CA-C 108.354 -0.98 . . . . 74.04 108.354 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.59 HD21 ' SG ' ' A' ' 5' ' ' CYS . 67.7 mt -110.77 131.46 55.03 Favored 'General case' 0 C--N 1.266 -3.026 0 N-CA-C 109.204 -0.665 . . . . 71.1 109.204 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.558 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 26.4 p -129.22 142.78 50.76 Favored 'General case' 0 CA--C 1.474 -1.954 0 N-CA-C 107.993 -1.114 . . . . 74.23 107.993 173.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.7 t -138.72 163.78 31.27 Favored 'General case' 0 N--CA 1.403 -2.786 0 C-N-CA 119.149 -1.02 . . . . 74.4 110.196 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.523 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 9.3 ptm180 . . . . . 0 C--N 1.294 -1.83 0 C-N-CA 124.076 0.95 . . . . 72.14 109.864 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.534 ' HB3' ' OG ' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 108.677 -0.86 . . . . 74.22 108.677 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.419 ' HB ' ' NE ' ' A' ' 32' ' ' ARG . 33.6 m -122.49 111.9 17.38 Favored 'General case' 0 N--CA 1.425 -1.694 0 C-N-CA 119.777 -0.769 . . . . 64.13 109.068 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.65 166.6 15.84 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 106.896 -1.52 . . . . 74.13 106.896 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -161.25 149.12 15.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 120.619 0.247 . . . . 73.12 110.391 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.664 ' SG ' HD21 ' B' ' 129' ' ' LEU . 34.8 m -88.86 111.51 22.15 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 115.673 -0.694 . . . . 73.24 110.424 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.9 ptt180 -102.99 148.71 25.34 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.926 -0.579 . . . . 75.04 110.337 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.42 HG21 ' HE ' ' A' ' 25' ' ' ARG . 4.9 m -90.78 -2.4 57.79 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.432 -0.804 . . . . 75.22 110.406 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.552 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -169.57 -103.73 0.17 Allowed Glycine 0 N--CA 1.418 -2.525 0 N-CA-C 108.817 -1.713 . . . . 35.34 108.817 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -101.0 168.9 9.31 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.605 -0.438 . . . . 65.21 110.288 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.17 163.75 29.65 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.795 -1.558 . . . . 75.04 106.795 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.46 73.16 1.9 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.462 0.648 . . . . 74.42 112.744 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t 173.16 -50.41 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 125.629 1.572 . . . . 60.52 108.566 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 56.17 -167.76 0.1 Allowed 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.638 0.775 . . . . 72.44 111.335 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 73.18 -51.57 0.71 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.673 1.189 . . . . 75.34 111.067 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.3 t -77.67 75.13 4.22 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-O 121.78 0.8 . . . . 53.0 109.819 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.547 HD21 HG13 ' A' ' 19' ' ' VAL . 4.9 tt -100.68 107.64 19.31 Favored 'General case' 0 N--CA 1.427 -1.601 0 N-CA-C 104.914 -2.254 . . . . 72.24 104.914 171.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 p -106.81 -9.94 16.22 Favored 'General case' 0 C--N 1.263 -3.176 0 CA-C-N 114.661 -1.154 . . . . 72.52 112.731 -169.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.86 164.12 34.08 Favored Glycine 0 N--CA 1.416 -2.643 0 N-CA-C 110.693 -0.963 . . . . 72.33 110.693 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.547 HG13 HD21 ' A' ' 16' ' ' LEU . 15.2 m -141.2 153.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 121.708 0.766 . . . . 75.3 111.213 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -149.58 117.7 6.37 Favored 'General case' 0 C--N 1.277 -2.543 0 CA-C-N 114.615 -1.175 . . . . 64.31 109.608 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.5 119.6 36.35 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.884 -1.154 . . . . 64.05 107.884 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.537 HD13 ' CE2' ' B' ' 127' ' ' TYR . 28.2 mt -129.33 125.2 61.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-N 114.272 -1.331 . . . . 64.23 108.41 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.9 p 54.38 31.59 14.82 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 125.736 1.614 . . . . 72.42 112.913 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 22.53 64.11 Favored Glycine 0 CA--C 1.508 -0.381 0 N-CA-C 111.888 -0.485 . . . . 22.21 111.888 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HE ' HG21 ' A' ' 7' ' ' THR . 43.4 ttt180 -129.78 132.27 46.48 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.264 -1.754 . . . . 51.31 106.264 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.87 128.16 40.0 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 119.336 -0.946 . . . . 72.54 109.346 -174.199 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -110.47 115.31 29.41 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.226 -0.897 . . . . 73.05 109.978 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 69.8 mtt85 -96.93 152.74 18.41 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-N 115.454 -0.794 . . . . 74.42 109.126 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.611 HD21 ' SG ' ' B' ' 105' ' ' CYS . 56.3 mt -113.04 123.54 50.54 Favored 'General case' 0 C--N 1.266 -3.056 0 N-CA-C 108.617 -0.883 . . . . 72.34 108.617 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 p -122.17 131.28 53.87 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.617 -1.253 . . . . 54.53 107.617 171.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.3 t -135.61 149.63 49.42 Favored 'General case' 0 N--CA 1.422 -1.862 0 C-N-CA 120.075 -0.65 . . . . 52.0 109.315 -172.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NE ' ' HB ' ' A' ' 2' ' ' THR . 41.7 ptt180 . . . . . 0 C--N 1.312 -1.058 0 C-N-CA 120.737 -0.385 . . . . 72.13 110.451 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.096 -0.335 . . . . 62.4 110.096 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.489 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 91.7 m -118.3 112.18 19.73 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.399 -0.963 . . . . 71.43 108.399 173.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 58.6 m -117.58 159.65 22.54 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.723 -1.214 . . . . 73.54 107.723 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -154.04 144.07 21.96 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.782 0.325 . . . . 73.42 110.785 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.2 m -87.03 114.69 23.85 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.2 -0.909 . . . . 64.32 109.201 -176.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.547 ' NH1' ' HA ' ' B' ' 109' ' ' ARG 0.317 4.0 ppt_? -120.56 134.16 55.31 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 113.907 1.077 . . . . 74.44 113.907 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 23.0 p -80.49 -3.01 48.37 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.332 -1.304 . . . . 74.24 112.823 -172.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 -110.23 0.59 Allowed Glycine 0 CA--C 1.458 -3.504 0 N-CA-C 108.253 -1.939 . . . . 61.24 108.253 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.547 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.9 ptt180 -115.5 177.86 4.51 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.09 0.471 . . . . 74.21 110.216 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.508 ' C ' ' H ' ' B' ' 112' ' ' THR . 9.5 p -139.04 169.51 17.66 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 104.928 -2.249 . . . . 74.52 104.928 172.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.66 27.64 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.001 0.819 . . . . 64.43 111.846 -175.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 110' ' ' CYS . 9.8 t -166.21 80.48 0.27 Allowed 'General case' 0 N--CA 1.413 -2.286 0 C-N-CA 124.945 1.298 . . . . 72.12 108.497 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -70.47 -29.61 66.2 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 113.696 0.999 . . . . 73.43 113.696 -175.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.46 -9.26 56.04 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.391 0.615 . . . . 63.01 110.446 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 38.7 t -88.3 16.77 5.86 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.84 -0.618 . . . . 75.41 110.217 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.45 HD21 HG13 ' B' ' 119' ' ' VAL . 3.3 tt -76.28 115.49 16.05 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.906 -1.887 . . . . 64.31 105.906 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 1' ' ' ALA . 17.8 m -115.04 -8.97 12.42 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.558 -1.656 . . . . 75.24 111.4 -171.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.67 164.44 34.67 Favored Glycine 0 N--CA 1.427 -1.966 0 C-N-CA 120.541 -0.838 . . . . 62.5 111.373 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.45 HG13 HD21 ' B' ' 116' ' ' LEU . 6.7 m -141.11 149.73 20.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 123.467 0.707 . . . . 71.02 110.956 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.02 118.52 6.93 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 114.864 -1.062 . . . . 72.04 109.372 174.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.587 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.57 118.74 34.76 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 107.926 -1.139 . . . . 72.33 107.926 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.32 126.98 66.78 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 114.258 -1.337 . . . . 70.44 108.756 -172.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 64.5 p 52.15 31.66 9.37 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 125.659 1.584 . . . . 54.03 113.292 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.87 18.06 64.2 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.655 -0.783 . . . . 42.3 112.288 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -129.27 135.31 48.61 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.486 -1.301 . . . . 63.35 107.486 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.79 122.73 36.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.09 -0.644 . . . . 72.44 109.93 -173.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.537 ' CE2' HD13 ' A' ' 22' ' ' ILE . 70.4 m-85 -106.07 110.65 22.97 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.515 -0.766 . . . . 73.43 110.552 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.538 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.2 mtt85 -95.79 139.05 32.57 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.752 -0.658 . . . . 72.21 109.349 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.664 HD21 ' SG ' ' A' ' 5' ' ' CYS . 50.3 mt -105.75 114.13 28.1 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-N 115.855 -0.611 . . . . 42.44 110.259 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' B' ' 115' ' ' SER . 4.9 p -112.38 141.12 46.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.355 -0.98 . . . . 72.55 108.355 171.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.7 t -145.06 142.33 29.63 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 119.02 -1.072 . . . . 62.31 111.796 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.489 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 17.2 ptm180 . . . . . 0 C--N 1.304 -1.399 0 CA-C-N 115.357 -0.838 . . . . 71.31 109.928 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.79 0 CA-C-O 120.834 0.35 . . . . 33.13 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.458 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 26.1 m -128.98 112.21 13.81 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.602 -1.629 . . . . 61.13 106.602 172.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.0 m -123.29 160.03 27.54 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.288 -1.745 . . . . 73.31 106.288 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 29.2 p90 -154.55 146.71 23.73 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 118.137 0.426 . . . . 72.1 111.979 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.701 ' SG ' HD21 ' B' ' 129' ' ' LEU . 37.3 m -87.93 101.66 13.96 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.205 -0.907 . . . . 73.51 110.108 -176.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.62 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.3 ppt_? -114.67 142.09 46.94 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 113.436 0.902 . . . . 75.44 113.436 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 25' ' ' ARG . 21.6 p -89.85 0.3 57.12 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.163 -0.926 . . . . 43.43 113.473 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.2 -99.88 0.62 Allowed Glycine 0 CA--C 1.479 -2.212 0 N-CA-C 109.969 -1.253 . . . . 73.32 109.969 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.62 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 12.2 ptp180 -135.29 178.47 7.01 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.351 -0.981 . . . . 75.25 108.351 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 21.1 p -146.7 158.52 43.92 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 120.705 -0.398 . . . . 53.02 110.98 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.38 91.04 1.71 Allowed 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 123.591 0.557 . . . . 73.35 110.303 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 13.2 t 161.45 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 105.082 -2.192 . . . . 74.11 105.082 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 0.276 7.0 mmm180 59.34 -84.27 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.615 2.08 . . . . 63.21 116.615 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.02 78.89 9.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-O 122.223 1.011 . . . . 73.31 109.991 -173.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -153.95 20.51 0.51 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.951 -1.477 . . . . 74.44 108.038 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.503 HD21 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -77.85 111.07 13.3 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 105.221 -2.14 . . . . 73.52 105.221 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 p -113.78 -7.23 13.26 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-N 114.094 -1.412 . . . . 71.11 112.057 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.59 163.57 33.43 Favored Glycine 0 N--CA 1.404 -3.464 0 N-CA-C 110.761 -0.936 . . . . 73.02 110.761 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG13 HD21 ' A' ' 16' ' ' LEU . 11.1 m -139.49 151.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.242 0.544 . . . . 61.02 110.853 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.67 118.68 8.21 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.742 -1.117 . . . . 73.42 108.84 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.94 123.38 40.64 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.438 -1.319 . . . . 64.32 107.438 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.416 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 41.4 mt -135.37 125.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.205 0 CA-C-N 114.624 -1.171 . . . . 70.23 108.843 -172.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.7 p 55.44 31.97 17.99 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 125.627 1.571 . . . . 61.11 113.045 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.45 19.28 64.53 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.852 -0.69 . . . . 53.01 112.232 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HD3' HG21 ' A' ' 7' ' ' THR . 39.7 ttm180 -129.46 134.03 47.6 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 107.592 -1.262 . . . . 71.12 107.592 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 120.42 34.13 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.956 -0.698 . . . . 72.42 109.262 -175.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.587 ' CE2' HD13 ' B' ' 122' ' ' ILE . 73.2 m-85 -101.68 118.18 36.41 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.507 -0.77 . . . . 72.41 110.243 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 57.7 mtt85 -101.17 140.09 35.95 Favored 'General case' 0 CA--C 1.485 -1.542 0 C-N-CA 123.36 0.664 . . . . 72.3 109.21 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.65 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.6 mt -105.62 124.22 49.2 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 115.758 -0.655 . . . . 74.3 110.208 -177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 15' ' ' SER . 14.5 p -133.01 143.6 49.53 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 108.271 -1.011 . . . . 54.42 108.271 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 t -141.65 162.04 36.45 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.208 -0.997 . . . . 74.42 110.888 -170.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 33.1 ptt180 . . . . . 0 C--O 1.257 1.49 0 N-CA-C 109.732 -0.47 . . . . 55.14 109.732 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.898 0 N-CA-C 109.021 -0.733 . . . . 72.53 109.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.8 m -142.63 112.32 6.83 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.825 -0.806 . . . . 73.23 108.825 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 18.3 m -125.6 154.72 41.84 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 106.081 -1.822 . . . . 71.13 106.081 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 40.3 p90 -150.18 143.47 25.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.147 0.795 . . . . 71.14 113.147 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.65 ' SG ' HD21 ' A' ' 29' ' ' LEU . 33.5 m -78.31 106.16 10.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.744 -1.116 . . . . 50.13 109.93 -177.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.531 ' HD2' ' HB2' ' B' ' 128' ' ' ARG . 3.6 ppt_? -118.65 130.99 56.16 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.921 0.867 . . . . 74.24 112.872 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' B' ' 125' ' ' ARG . 30.4 p -74.38 -16.33 60.9 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-N 114.557 -1.201 . . . . 74.4 112.902 -174.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.42 -91.26 0.14 Allowed Glycine 0 CA--C 1.456 -3.612 0 C-N-CA 119.537 -1.316 . . . . 52.24 110.449 -175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -119.82 177.65 4.89 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.39 -0.967 . . . . 65.52 108.39 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.489 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 22.4 p -147.47 166.55 26.91 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 119.72 -0.181 . . . . 75.13 110.727 175.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.27 84.37 3.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.327 0.584 . . . . 72.4 110.706 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 11.3 t 158.13 -21.71 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 104.861 -2.274 . . . . 64.15 104.861 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.293 16.9 mmm-85 68.76 -109.88 0.09 Allowed 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.187 -1.824 . . . . 75.32 114.917 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . 0.366 12.8 mm-40 -91.71 80.8 5.29 Favored 'General case' 0 N--CA 1.414 -2.259 0 N-CA-C 115.307 1.595 . . . . 51.3 115.307 -172.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 35.1 t -123.82 42.33 3.26 Favored 'General case' 0 C--N 1.272 -2.773 0 N-CA-C 103.768 -2.679 . . . . 54.4 103.768 172.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.523 HD21 HG13 ' B' ' 119' ' ' VAL . 3.9 tt -77.5 116.67 18.26 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.054 -1.461 . . . . 55.24 107.054 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.2 p -118.17 -7.2 10.82 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.264 -1.334 . . . . 75.43 112.216 -172.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.88 164.02 33.91 Favored Glycine 0 N--CA 1.422 -2.247 0 N-CA-C 110.349 -1.1 . . . . 72.43 110.349 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.523 HG13 HD21 ' B' ' 116' ' ' LEU . 14.1 m -138.67 151.83 24.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.246 0.546 . . . . 73.23 110.57 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 127' ' ' TYR . 6.7 p -143.93 112.84 6.69 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 115.273 -0.876 . . . . 74.1 109.509 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.521 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -98.26 121.43 40.17 Favored 'General case' 0 N--CA 1.413 -2.324 0 N-CA-C 108.097 -1.075 . . . . 75.22 108.097 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.587 HD13 ' CE2' ' A' ' 27' ' ' TYR . 18.6 mt -129.81 121.63 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 114.536 -1.211 . . . . 74.32 108.712 -172.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 57.1 p 51.33 32.19 8.08 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.264 1.426 . . . . 75.14 113.946 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 100.71 -10.78 59.19 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.385 -0.436 . . . . 74.44 113.305 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.488 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 62.9 ttt180 -104.73 135.76 45.52 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.771 -0.826 . . . . 75.32 108.771 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.49 123.35 37.86 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.05 -0.66 . . . . 74.42 109.417 -176.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.488 ' OH ' ' HD3' ' B' ' 125' ' ' ARG . 94.4 m-85 -105.96 112.32 25.32 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.683 -0.69 . . . . 63.42 109.525 175.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.531 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 76.7 mtt85 -91.48 142.82 27.24 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 109.374 -0.602 . . . . 64.51 109.374 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.701 HD21 ' SG ' ' A' ' 5' ' ' CYS . 71.3 mt -105.74 126.12 51.79 Favored 'General case' 0 C--N 1.272 -2.769 0 N-CA-C 109.347 -0.612 . . . . 71.03 109.347 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' B' ' 115' ' ' SER . 22.7 p -126.07 142.43 51.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.192 -1.41 . . . . 74.05 107.192 172.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 27.3 t -142.28 152.4 42.97 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.285 -0.966 . . . . 73.13 110.818 -172.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.424 ' HG3' ' OXT' ' B' ' 132' ' ' ARG . 26.5 ptt180 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 118.596 -0.716 . . . . 75.23 109.116 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' B' ' 117' ' ' SER . . . . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.292 -0.633 . . . . 74.23 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m -120.85 111.46 17.58 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.413 -0.958 . . . . 70.21 108.413 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.2 m -123.39 164.0 19.71 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.473 -0.936 . . . . 53.53 108.473 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -157.79 144.4 17.82 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 122.508 0.323 . . . . 74.54 110.214 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.631 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.8 m -88.65 119.98 29.61 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.824 -0.626 . . . . 71.41 109.423 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.596 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 4.2 ppt_? -129.1 135.32 48.73 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 113.397 0.888 . . . . 73.43 113.397 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 42.4 p -82.22 -11.46 58.67 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.061 -0.972 . . . . 75.21 112.303 -173.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -131.61 -119.22 2.06 Favored Glycine 0 CA--C 1.456 -3.605 0 N-CA-C 108.78 -1.728 . . . . 54.53 108.78 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.596 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 18.3 ptp180 -107.89 177.97 4.66 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 109.292 -0.632 . . . . 71.13 109.292 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 14.2 p -138.29 160.54 39.22 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.491 -0.929 . . . . 64.43 108.491 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.13 79.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 63.24 112.087 -174.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 169.07 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.432 1.493 . . . . 64.13 107.821 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 66.51 -75.42 0.06 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.131 0.972 . . . . 71.3 112.764 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.78 87.1 3.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.69 0.757 . . . . 72.43 110.158 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 40.7 t -166.65 14.39 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.175 -1.375 . . . . 64.02 108.117 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.76 112.92 16.38 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 106.977 -1.49 . . . . 63.43 106.977 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB3' ' HB3' ' B' ' 101' ' ' ALA . 25.7 p -116.76 -4.45 11.63 Favored 'General case' 0 C--N 1.27 -2.86 0 CA-C-N 113.952 -1.477 . . . . 44.13 112.294 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 163.95 34.16 Favored Glycine 0 N--CA 1.418 -2.565 0 C-N-CA 120.178 -1.01 . . . . 64.22 111.81 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.441 HG13 HD21 ' A' ' 16' ' ' LEU . 9.2 m -143.32 147.31 20.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 123.292 0.637 . . . . 75.2 111.008 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -146.96 119.5 8.49 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 114.875 -1.057 . . . . 74.15 109.269 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.45 122.61 40.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.847 -1.168 . . . . 63.3 107.847 178.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.466 HD13 ' CE2' ' B' ' 127' ' ' TYR . 31.8 mt -130.16 120.94 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 114.541 -1.208 . . . . 73.15 108.916 -172.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.4 p 52.93 33.1 13.82 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.814 1.246 . . . . 72.54 113.594 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 -11.47 68.46 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.213 -0.448 . . . . 65.21 112.514 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HE ' HG21 ' A' ' 7' ' ' THR . 75.1 ttt180 -103.33 132.25 49.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.072 -1.084 . . . . 60.13 108.072 -174.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -93.55 125.21 38.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.198 -0.667 . . . . 73.34 109.198 -174.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CE2' HD13 ' B' ' 122' ' ' ILE . 67.6 m-85 -106.31 111.6 24.25 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 123.157 0.583 . . . . 62.3 110.9 176.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 63.4 mtt85 -93.76 143.66 26.12 Favored 'General case' 0 CA--C 1.48 -1.714 0 CA-C-N 115.44 -0.8 . . . . 60.12 108.876 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.626 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.4 mt -108.22 127.89 54.23 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 109.079 -0.711 . . . . 72.44 109.079 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 15' ' ' SER . 8.7 p -129.18 142.51 50.84 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 108.177 -1.045 . . . . 45.4 108.177 171.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 t -147.3 153.71 40.06 Favored 'General case' 0 N--CA 1.416 -2.162 0 C-N-CA 119.184 -1.006 . . . . 74.13 111.274 -168.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 . . . . . 0 C--O 1.255 1.392 0 CA-C-N 115.496 -0.775 . . . . 74.44 109.393 177.464 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 109.044 -0.725 . . . . 72.35 109.044 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 52.6 m -124.97 111.49 15.47 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.283 -1.006 . . . . 73.14 108.283 175.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.6 m -123.94 156.09 36.98 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.304 -1.369 . . . . 74.03 107.304 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -151.81 151.15 30.96 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 120.504 0.192 . . . . 72.53 110.579 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.626 ' SG ' HD21 ' A' ' 29' ' ' LEU . 23.4 m -94.64 109.67 21.57 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.881 0.738 . . . . 62.42 110.63 -174.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.553 ' HD3' ' C ' ' B' ' 109' ' ' ARG . 7.1 ptt180 -98.88 147.7 24.68 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.958 0.409 . . . . 65.23 111.525 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.3 p -96.07 5.25 51.56 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.638 -0.71 . . . . 65.25 111.589 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -172.74 -75.54 0.05 OUTLIER Glycine 0 N--CA 1.42 -2.375 0 N-CA-C 110.221 -1.152 . . . . 11.4 110.221 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.553 ' C ' ' HD3' ' B' ' 106' ' ' ARG . 16.6 ptp180 -132.07 162.73 30.09 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.657 0.265 . . . . 64.22 111.441 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -136.47 150.97 48.97 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 109.213 -0.662 . . . . 74.34 109.213 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.6 84.34 1.57 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.205 0.526 . . . . 71.32 110.885 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.1 t 165.71 -29.53 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 126.191 1.796 . . . . 73.41 106.853 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 62.59 -79.25 0.03 OUTLIER 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.302 1.223 . . . . 73.44 114.302 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.52 81.36 7.79 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 122.332 1.063 . . . . 53.11 110.504 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 30.5 t -157.46 21.67 0.29 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.678 -1.601 . . . . 62.5 106.831 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.447 HD21 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -78.8 123.42 27.18 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.278 -1.749 . . . . 71.0 106.278 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.48 ' HB3' ' HB3' ' A' ' 1' ' ' ALA . 16.1 p -125.64 -1.72 7.37 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 114.988 -1.006 . . . . 75.52 112.866 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.73 163.58 33.35 Favored Glycine 0 N--CA 1.428 -1.836 0 N-CA-C 110.646 -0.981 . . . . 73.24 110.646 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.447 HG13 HD21 ' B' ' 116' ' ' LEU . 12.4 m -143.28 145.71 22.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 CA-C-O 121.166 0.508 . . . . 70.21 111.046 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.6 p -143.31 124.45 14.51 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 115.263 -0.88 . . . . 75.33 109.648 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.3 118.94 36.09 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 108.091 -1.077 . . . . 74.11 108.091 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.442 HD13 ' CE2' ' A' ' 27' ' ' TYR . 48.0 mt -127.91 123.29 60.5 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.198 0 CA-C-N 114.196 -1.365 . . . . 71.25 108.293 -172.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.9 p 53.04 31.7 11.6 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 125.11 1.364 . . . . 61.33 112.546 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.22 -1.13 87.58 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.051 -0.595 . . . . 71.34 112.236 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -106.82 136.94 45.78 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.89 -1.152 . . . . 72.45 107.89 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.76 123.2 38.07 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 119.832 -0.747 . . . . 74.42 110.956 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.466 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.5 m-85 -105.46 112.71 25.91 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 114.963 -1.017 . . . . 75.55 110.382 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.512 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.0 mtt85 -95.55 142.96 27.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.64 -0.874 . . . . 71.41 108.64 177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.631 HD21 ' SG ' ' A' ' 5' ' ' CYS . 61.3 mt -105.06 123.56 48.02 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 109.351 -0.611 . . . . 73.21 109.351 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.498 ' SG ' ' NE ' ' B' ' 106' ' ' ARG . 61.6 m -110.79 131.62 54.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.025 -1.842 . . . . 71.2 106.025 174.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 14.6 t -141.98 148.19 38.17 Favored 'General case' 0 N--CA 1.416 -2.156 0 C-N-CA 118.307 -1.357 . . . . 75.34 111.944 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.42 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 15.6 ptm180 . . . . . 0 N--CA 1.415 -2.186 0 CA-C-N 114.456 -1.247 . . . . 74.51 108.049 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 109.507 -0.553 . . . . 71.23 109.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -113.74 110.83 20.79 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.742 -1.577 . . . . 73.11 106.742 174.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' B' ' 117' ' ' SER . 11.2 m -128.0 167.15 17.1 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.975 -1.12 . . . . 71.13 107.975 -174.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -159.36 155.62 27.07 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 110.098 -0.334 . . . . 74.23 110.098 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.632 ' SG ' HD21 ' B' ' 129' ' ' LEU . 24.8 m -92.21 111.47 23.05 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.157 -0.683 . . . . 63.45 109.157 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.51 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 13.2 ptt180 -103.34 148.08 26.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.621 -0.263 . . . . 75.11 110.677 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 p -94.38 7.1 46.67 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.616 0.722 . . . . 72.34 111.117 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -168.0 -122.54 0.62 Allowed Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.6 -1.4 . . . . 62.22 109.6 -176.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HA ' HH11 ' A' ' 6' ' ' ARG . 24.4 ptt180 -98.15 173.31 7.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 117.186 0.493 . . . . 75.1 110.568 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -146.42 169.4 18.95 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.935 -1.876 . . . . 62.12 105.935 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.05 7.3 1.7 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.737 0.78 . . . . 53.51 112.16 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -133.79 37.87 3.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 105.955 -1.868 . . . . 74.32 105.955 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 3.0 tmm_? -46.36 -44.01 16.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.804 2.042 . . . . 54.42 112.834 -173.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.51 -34.13 68.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.887 0.375 . . . . 50.1 111.207 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -80.01 79.12 6.59 Favored 'General case' 0 N--CA 1.419 -1.988 0 CA-C-O 121.899 0.857 . . . . 53.55 110.532 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.719 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -99.54 112.83 24.98 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 104.606 -2.368 . . . . 63.03 104.606 172.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' B' ' 101' ' ' ALA . 50.2 p -101.55 -21.07 14.82 Favored 'General case' 0 C--N 1.272 -2.761 0 CA-C-N 115.205 -0.907 . . . . 70.24 112.176 -172.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.84 163.99 37.43 Favored Glycine 0 N--CA 1.419 -2.451 0 N-CA-C 110.286 -1.126 . . . . 71.25 110.286 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.719 HG13 HD21 ' A' ' 16' ' ' LEU . 3.0 m -139.42 147.77 24.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-O 121.215 0.531 . . . . 64.23 112.011 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 7.0 p -147.99 111.58 5.01 Favored 'General case' 0 C--N 1.277 -2.553 0 CA-C-N 114.583 -1.19 . . . . 71.11 108.708 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HB2' HD22 ' A' ' 26' ' ' LEU . 40.5 tt0 -96.75 110.96 23.32 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 107.588 -1.264 . . . . 65.33 107.588 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.508 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.0 mt -122.74 133.85 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-N 114.737 -1.12 . . . . 72.31 108.134 -172.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 p 54.86 33.22 19.39 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 124.874 1.27 . . . . 74.04 111.867 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.96 5.41 86.82 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.861 -0.609 . . . . 61.31 113.332 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -112.08 137.29 50.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.302 -1.369 . . . . 64.14 107.302 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.1 116.92 29.5 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 119.141 -1.023 . . . . 70.54 108.423 -174.206 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 91.5 m-85 -97.16 104.83 16.88 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 115.364 -0.835 . . . . 72.13 109.45 175.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 56.8 mtt85 -91.01 151.04 21.2 Favored 'General case' 0 CA--C 1.48 -1.721 0 CA-C-N 115.281 -0.872 . . . . 72.33 108.945 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD21 ' SG ' ' B' ' 105' ' ' CYS . 53.2 mt -111.57 121.92 46.43 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 108.903 -0.777 . . . . 60.1 108.903 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.24 142.17 51.46 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 107.17 -1.419 . . . . 74.3 107.17 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.5 t -134.77 148.18 50.17 Favored 'General case' 0 N--CA 1.408 -2.538 0 C-N-CA 117.936 -1.506 . . . . 74.4 112.535 -170.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 . . . . . 0 C--N 1.302 -1.498 0 C-N-CA 124.99 1.316 . . . . 73.35 109.149 178.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 109.32 -0.622 . . . . 73.1 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 99.3 m -113.72 113.62 25.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 109.562 -0.533 . . . . 74.45 109.562 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -137.55 168.73 19.08 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.181 -1.044 . . . . 71.11 108.181 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.427 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 31.2 p90 -164.5 153.17 12.85 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.79 0.436 . . . . 62.05 110.222 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.571 ' SG ' HD21 ' A' ' 29' ' ' LEU . 32.2 m -88.61 106.11 18.1 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 123.668 0.605 . . . . 60.12 109.92 -176.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 12.3 ptt180 -97.42 147.45 24.2 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 116.072 -0.513 . . . . 61.23 111.353 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.0 p -91.82 2.21 56.66 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.577 0.704 . . . . 55.1 111.391 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.502 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -170.98 -105.37 0.18 Allowed Glycine 0 N--CA 1.419 -2.449 0 N-CA-C 109.736 -1.346 . . . . 54.25 109.736 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -101.91 174.87 5.75 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.849 -0.426 . . . . 72.21 109.849 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.442 ' C ' ' H ' ' B' ' 112' ' ' THR . 24.1 p -146.54 169.64 18.53 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 107.897 -1.149 . . . . 53.21 107.897 175.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.86 15.69 0.14 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.616 0.722 . . . . 65.1 111.973 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.442 ' H ' ' C ' ' B' ' 110' ' ' CYS . 6.9 t -138.52 87.22 2.21 Favored 'General case' 0 N--CA 1.402 -2.868 0 CA-C-O 122.621 1.201 . . . . 42.45 108.183 173.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -75.16 175.61 8.09 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.188 -0.914 . . . . 75.11 109.821 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 73.46 -45.93 0.62 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.335 1.054 . . . . 71.45 111.438 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t -74.59 73.09 1.97 Allowed 'General case' 0 N--CA 1.433 -1.282 0 C-N-CA 123.447 0.699 . . . . 73.42 112.469 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.517 HD21 HG13 ' B' ' 119' ' ' VAL . 4.6 tt -101.59 112.73 25.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.307 -2.108 . . . . 53.53 105.307 169.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.435 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 26.4 p -107.0 -14.35 14.96 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-N 115.613 -0.721 . . . . 74.2 112.861 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.36 164.41 34.83 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 110.886 -0.885 . . . . 63.52 110.886 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.517 HG13 HD21 ' B' ' 116' ' ' LEU . 4.8 m -139.53 150.93 22.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.356 0.598 . . . . 72.23 111.545 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.3 p -150.46 121.21 7.54 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 114.731 -1.122 . . . . 71.51 109.747 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.532 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.3 OUTLIER -97.86 122.71 41.29 Favored 'General case' 0 N--CA 1.417 -2.102 0 N-CA-C 107.426 -1.324 . . . . 74.51 107.426 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.412 HD13 ' CE2' ' A' ' 27' ' ' TYR . 41.5 mt -129.02 121.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-N 114.823 -1.081 . . . . 74.52 109.503 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 69.1 p 48.49 32.15 3.22 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 126.407 1.883 . . . . 72.43 114.826 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 106.02 -5.9 39.73 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.734 -0.746 . . . . 33.32 113.244 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -116.33 138.69 51.12 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 117.435 0.617 . . . . 73.1 110.043 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.82 118.87 32.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.714 -0.847 . . . . 71.1 108.714 -177.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 22' ' ' ILE . 76.3 m-85 -100.36 121.5 41.6 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.419 -0.81 . . . . 75.33 110.775 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 69.6 mtt85 -100.19 152.7 19.97 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.002 -0.74 . . . . 74.23 109.002 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.632 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.2 mt -112.52 129.24 56.42 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 108.407 -0.96 . . . . 62.11 108.407 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.77 135.16 46.57 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 109.439 -0.578 . . . . 70.5 109.439 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 83.4 m -115.26 140.12 49.37 Favored 'General case' 0 N--CA 1.417 -2.098 0 CA-C-N 115.773 -0.649 . . . . 74.4 111.273 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 C--N 1.297 -1.705 0 C-N-CA 125.405 1.482 . . . . 73.45 110.225 -175.425 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 110.126 -0.324 . . . . 71.11 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.7 m -116.95 110.63 18.53 Favored 'General case' 0 N--CA 1.424 -1.735 0 N-CA-C 107.812 -1.181 . . . . 65.24 107.812 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 m -125.95 154.77 42.37 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 106.222 -1.77 . . . . 63.43 106.222 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -152.69 151.0 30.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 118.334 0.515 . . . . 72.41 110.98 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.6 m -87.36 106.31 17.86 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.066 -0.97 . . . . 75.05 109.176 -176.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.503 HH11 ' HA ' ' A' ' 9' ' ' ARG . 10.8 ptt180 -97.98 141.64 30.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.828 0.347 . . . . 70.33 111.068 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.0 p -88.86 6.28 39.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.929 -0.578 . . . . 60.21 111.675 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.76 -96.34 0.1 Allowed Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 110.192 -1.163 . . . . 31.14 110.192 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HA ' HH11 ' A' ' 6' ' ' ARG . 34.0 ptt180 -124.57 170.69 10.67 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.11 0.481 . . . . 72.05 111.119 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.75 169.34 17.79 Favored 'General case' 0 N--CA 1.417 -2.121 0 N-CA-C 104.348 -2.464 . . . . 73.24 104.348 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.68 61.82 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 119.171 0.896 . . . . 74.44 110.563 -173.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 12' ' ' THR . 8.0 t -113.82 89.31 3.05 Favored 'General case' 0 N--CA 1.406 -2.631 0 CA-C-O 122.23 1.014 . . . . 71.45 110.321 174.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 74.41 108.558 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -51.43 -36.92 45.99 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.613 1.565 . . . . 62.2 112.216 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.701 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 48.9 m -79.89 19.94 0.65 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.58 0.955 . . . . 75.42 113.58 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HB2' ' NH2' ' A' ' 6' ' ' ARG . 4.2 tt -76.83 115.44 16.61 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 105.442 -2.058 . . . . 62.44 105.442 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.2 p -122.56 -2.53 8.9 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 114.566 -1.197 . . . . 63.02 112.521 -171.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.63 162.43 31.72 Favored Glycine 0 N--CA 1.42 -2.398 0 N-CA-C 110.549 -1.02 . . . . 63.21 110.549 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.469 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.5 m -141.44 149.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.326 0.584 . . . . 61.54 111.363 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -146.1 121.79 10.5 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 114.838 -1.073 . . . . 63.52 109.546 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -97.41 122.45 40.48 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 107.819 -1.178 . . . . 74.25 107.819 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.423 HD13 ' CE2' ' B' ' 127' ' ' TYR . 27.1 mt -136.95 128.84 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.861 0 CA-C-N 114.517 -1.22 . . . . 74.22 108.448 -173.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.8 p 54.07 32.36 15.5 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.288 1.435 . . . . 74.04 113.335 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.51 10.45 76.9 Favored Glycine 0 C--O 1.24 0.478 0 C-N-CA 120.784 -0.722 . . . . 62.13 112.391 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -123.04 137.98 54.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.794 -0.817 . . . . 63.45 108.794 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.37 117.35 29.99 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.538 -0.912 . . . . 72.53 108.538 -178.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 84.6 m-85 -97.15 118.69 34.14 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.434 -0.803 . . . . 71.3 109.681 177.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 61.2 mtt85 -100.27 145.5 28.03 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.768 -0.651 . . . . 63.44 109.292 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.675 HD21 ' SG ' ' B' ' 105' ' ' CYS . 55.8 mt -108.47 115.59 30.38 Favored 'General case' 0 C--N 1.268 -2.949 0 N-CA-C 108.838 -0.801 . . . . 73.02 108.838 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 15' ' ' SER . 16.0 p -116.37 117.87 31.15 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 109.253 -0.647 . . . . 53.33 109.253 172.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.52 143.34 39.31 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 115.722 -0.672 . . . . 72.22 111.152 -172.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 . . . . . 0 C--O 1.256 1.425 0 CA-C-N 115.117 -0.947 . . . . 75.42 109.327 -177.848 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 120.75 0.31 . . . . 62.54 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' B' ' 132' ' ' ARG . 93.5 m -139.79 112.69 8.06 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.988 -0.745 . . . . 73.43 108.988 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 m -126.23 166.34 17.26 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 106.459 -1.682 . . . . 74.14 106.459 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -158.11 154.75 27.99 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 118.16 0.436 . . . . 74.24 110.95 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.675 ' SG ' HD21 ' A' ' 29' ' ' LEU . 29.7 m -91.29 102.11 14.82 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 123.859 0.724 . . . . 63.41 109.142 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.51 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.0 ptt180 -91.71 140.31 29.83 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.071 0.462 . . . . 62.21 111.045 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.4 p -89.06 22.44 2.76 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.699 -0.682 . . . . 74.12 111.07 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 175.84 -113.06 0.42 Allowed Glycine 0 N--CA 1.426 -2.028 0 N-CA-C 110.472 -1.051 . . . . 65.0 110.472 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.51 ' HA ' HH11 ' B' ' 106' ' ' ARG . 39.8 ptt180 -106.94 175.05 5.63 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.719 -0.474 . . . . 74.54 109.719 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 p -139.01 162.3 35.26 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.432 -1.321 . . . . 75.33 107.432 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.06 -19.54 61.81 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 113.044 0.757 . . . . 61.43 113.044 -171.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t -75.0 -34.06 61.92 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 109.549 -0.538 . . . . 62.3 109.549 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 58.19 177.29 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.92 0.888 . . . . 64.43 111.976 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 69.83 -61.27 0.45 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.083 0.953 . . . . 75.53 113.083 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 40.6 m -71.44 83.36 0.8 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 114.406 1.261 . . . . 60.4 114.406 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.588 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -101.19 116.27 32.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.674 -1.973 . . . . 62.41 105.674 170.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 9.8 p -104.19 -16.81 15.11 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 113.409 0.892 . . . . 73.22 113.409 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.64 164.12 34.22 Favored Glycine 0 N--CA 1.42 -2.378 0 N-CA-C 110.579 -1.008 . . . . 72.12 110.579 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.588 HG13 HD21 ' B' ' 116' ' ' LEU . 5.5 m -139.13 151.53 23.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.258 0.551 . . . . 72.22 111.694 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 p -148.65 116.7 6.4 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.746 -1.116 . . . . 71.43 109.45 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.564 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.08 121.13 38.62 Favored 'General case' 0 CA--C 1.474 -1.944 0 N-CA-C 107.602 -1.259 . . . . 72.54 107.602 179.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.524 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 25.8 mt -135.32 129.11 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 CA-C-N 114.665 -1.152 . . . . 74.43 108.285 -172.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 55.1 p 53.42 32.0 13.13 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 124.933 1.293 . . . . 74.34 113.425 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.71 0.15 75.91 Favored Glycine 0 CA--C 1.507 -0.461 0 C-N-CA 121.168 -0.539 . . . . 52.21 112.86 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.432 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.6 ttm180 -116.05 139.49 50.23 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 108.912 -0.773 . . . . 73.03 108.912 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.0 115.33 27.65 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 108.684 -0.858 . . . . 64.31 108.684 -177.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' B' ' 125' ' ' ARG . 90.8 m-85 -95.71 111.9 23.75 Favored 'General case' 0 C--N 1.278 -2.542 0 CA-C-N 115.808 -0.633 . . . . 64.04 109.837 177.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.42 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 62.5 mtt85 -95.88 151.86 19.02 Favored 'General case' 0 CA--C 1.474 -1.964 0 CA-C-N 115.77 -0.65 . . . . 71.51 109.813 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.564 HD21 ' SG ' ' A' ' 5' ' ' CYS . 47.6 mt -113.23 122.67 48.17 Favored 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 108.477 -0.934 . . . . 73.4 108.477 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 129.09 45.32 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 106.677 -1.601 . . . . 52.53 106.677 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 9.2 t -112.45 164.04 13.74 Favored 'General case' 0 C--N 1.277 -2.545 0 C-N-CA 119.357 -0.937 . . . . 40.12 110.148 -171.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' B' ' 102' ' ' THR . 15.7 ptm180 . . . . . 0 C--N 1.307 -1.272 0 CA-C-O 118.535 -0.745 . . . . 73.35 109.664 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 108.845 -0.798 . . . . 62.05 108.845 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 111.85 14.41 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 119.993 -0.683 . . . . 53.22 109.439 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 m -122.72 166.97 14.07 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.773 -1.566 . . . . 73.42 106.773 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -155.42 144.67 20.94 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.538 0.209 . . . . 75.45 110.964 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' B' ' 129' ' ' LEU . 18.3 m -94.38 108.05 19.98 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.911 -0.774 . . . . 74.11 108.911 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -125.9 159.9 31.34 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.663 -0.815 . . . . 75.12 110.888 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.461 HG21 ' NE ' ' A' ' 25' ' ' ARG . 24.6 p -98.68 8.2 45.21 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 112.534 0.568 . . . . 64.32 112.534 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.76 -157.97 7.38 Favored Glycine 0 N--CA 1.419 -2.448 0 C-N-CA 120.202 -0.999 . . . . 60.01 111.43 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -97.46 164.25 12.52 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 109.684 -0.487 . . . . 65.01 109.684 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.22 148.1 47.56 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 120.61 -0.436 . . . . 73.44 110.15 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 81.37 1.03 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.066 0.936 . . . . 60.14 111.945 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 t 173.72 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.373 -1.74 . . . . 74.24 107.046 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 15' ' ' SER . 30.4 mmm180 58.0 -177.39 0.07 Allowed 'General case' 0 C--N 1.364 1.201 0 CA-C-N 115.282 -0.872 . . . . 74.23 110.857 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 69.82 -26.2 0.15 Allowed 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 124.095 0.958 . . . . 74.25 112.6 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 35.3 t -79.91 6.22 11.79 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 124.501 1.121 . . . . 42.01 113.087 -174.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 19' ' ' VAL . 3.5 tt -77.74 114.96 17.11 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.053 -1.832 . . . . 64.21 106.053 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 p -111.7 -19.83 12.33 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-N 114.108 -1.405 . . . . 51.55 111.823 -172.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.13 164.37 37.41 Favored Glycine 0 N--CA 1.421 -2.308 0 N-CA-C 110.192 -1.163 . . . . 44.22 110.192 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 16' ' ' LEU . 18.9 m -136.31 157.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.116 0.484 . . . . 71.14 110.884 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.4 p -147.46 122.71 10.24 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 114.993 -1.003 . . . . 61.54 109.432 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -97.86 121.62 39.99 Favored 'General case' 0 N--CA 1.415 -2.176 0 N-CA-C 108.03 -1.1 . . . . 52.1 108.03 177.348 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -134.36 128.89 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.057 0 CA-C-N 114.238 -1.346 . . . . 75.34 107.765 -175.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p 55.93 31.46 17.88 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.308 1.443 . . . . 74.34 112.727 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.09 11.03 84.86 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.163 -0.542 . . . . 55.45 112.134 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' NE ' HG21 ' A' ' 7' ' ' THR . 40.7 ttt180 -120.48 135.51 55.04 Favored 'General case' 0 N--CA 1.421 -1.898 0 N-CA-C 106.711 -1.588 . . . . 64.53 106.711 -177.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.12 123.13 37.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.88 -0.728 . . . . 72.02 109.6 -174.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CE2' HD13 ' B' ' 122' ' ' ILE . 87.3 m-85 -103.98 117.03 33.34 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 115.428 -0.805 . . . . 65.15 110.294 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -96.14 142.94 27.72 Favored 'General case' 0 CA--C 1.48 -1.744 0 N-CA-C 108.847 -0.797 . . . . 74.34 108.847 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.686 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.3 mt -108.69 108.08 18.8 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-N 115.736 -0.665 . . . . 55.4 109.462 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 15' ' ' SER 0.27 27.8 p -114.9 142.35 46.71 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.662 -0.866 . . . . 72.24 108.662 172.081 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -138.91 164.58 29.31 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.768 -0.773 . . . . 71.25 112.247 -164.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.962 -0.755 . . . . 65.22 108.962 177.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 120.706 0.289 . . . . 65.31 110.649 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.56 ' HB ' ' HG2' ' B' ' 132' ' ' ARG . 61.5 m -131.27 111.82 12.23 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.887 -1.153 . . . . 50.13 107.887 171.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 40.0 m -120.11 159.87 23.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.162 -1.422 . . . . 64.12 107.162 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.72 148.47 22.69 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.881 0.372 . . . . 73.35 110.853 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.686 ' SG ' HD21 ' A' ' 29' ' ' LEU . 37.4 m -85.76 127.5 34.55 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.156 -0.929 . . . . 72.45 110.234 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.53 ' HG2' ' HB3' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -136.77 142.85 43.0 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 121.09 0.471 . . . . 75.55 112.19 178.006 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 72.4 p -76.57 -8.61 57.56 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 113.873 1.064 . . . . 73.13 113.873 -171.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.405 ' HA2' HH11 ' B' ' 128' ' ' ARG . . . -160.68 -65.73 0.02 OUTLIER Glycine 0 CA--C 1.469 -2.841 0 C-N-CA 119.369 -1.396 . . . . 72.45 111.58 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -135.24 178.16 7.25 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 120.314 -0.554 . . . . 72.1 109.789 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.53 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.5 p -145.85 136.63 24.37 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.814 -1.18 . . . . 55.34 107.814 172.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.451 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -73.2 86.0 1.4 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.378 0.609 . . . . 74.33 110.261 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 11.1 t 166.32 -34.21 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 125.806 1.642 . . . . 72.32 106.888 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 52.31 -98.95 0.08 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-N 114.977 -1.01 . . . . 72.11 113.681 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' ' 112' ' ' THR . 44.5 mt-10 61.44 -64.89 0.07 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.125 1.37 . . . . 71.3 114.6 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 34.0 t -148.06 116.99 6.75 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 112.34 0.496 . . . . 51.22 112.34 -175.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.492 HD21 HG13 ' B' ' 119' ' ' VAL . 4.3 tt -84.39 111.4 19.41 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 103.63 -2.73 . . . . 72.23 103.63 167.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.7 p -103.73 -11.0 17.89 Favored 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 115.029 -0.987 . . . . 64.32 113.326 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.58 164.49 34.81 Favored Glycine 0 CA--C 1.476 -2.391 0 C-N-CA 119.719 -1.229 . . . . 64.2 111.059 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.492 HG13 HD21 ' B' ' 116' ' ' LEU . 15.4 m -141.12 143.46 28.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 121.476 0.655 . . . . 62.4 110.891 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 4.0 p -142.53 122.24 13.42 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 114.814 -1.084 . . . . 53.33 109.555 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.65 123.67 41.65 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.523 -1.288 . . . . 74.22 107.523 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' A' ' 27' ' ' TYR . 40.5 mt -135.95 128.97 47.11 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.158 0 N-CA-C 107.751 -1.203 . . . . 75.5 107.751 -173.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 71.7 p 52.35 32.04 10.46 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.391 1.476 . . . . 60.23 113.383 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 16.82 73.18 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 120.79 -0.719 . . . . 71.04 112.019 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.47 ' CZ ' HG21 ' B' ' 107' ' ' THR . 63.3 ttt180 -128.29 139.65 52.31 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 107.133 -1.432 . . . . 75.04 107.133 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.1 OUTLIER -94.11 130.76 40.17 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 119.647 -0.821 . . . . 65.24 109.339 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.447 ' HB2' ' SG ' ' B' ' 120' ' ' CYS . 97.0 m-85 -114.65 108.83 17.33 Favored 'General case' 0 C--N 1.277 -2.547 0 CA-C-N 115.173 -0.921 . . . . 72.25 109.113 176.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.444 ' HG2' HG12 ' B' ' 119' ' ' VAL . 56.7 mtt85 -92.83 151.86 19.75 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.419 -0.81 . . . . 73.2 109.33 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.4 mt -112.92 136.73 52.25 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 108.769 -0.826 . . . . 74.11 108.769 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' B' ' 115' ' ' SER . 6.3 p -133.12 140.07 47.43 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.303 -1.369 . . . . 75.45 107.303 171.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.8 t -142.59 151.83 41.92 Favored 'General case' 0 N--CA 1.421 -1.891 0 C-N-CA 118.366 -1.334 . . . . 73.51 111.575 -169.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.56 ' HG2' ' HB ' ' B' ' 102' ' ' THR . 39.0 ptt180 . . . . . 0 N--CA 1.432 -1.331 0 CA-C-N 115.469 -0.787 . . . . 61.43 108.964 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 110.235 -0.283 . . . . 73.21 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.0 m -122.9 112.27 17.65 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.965 -1.124 . . . . 54.44 107.965 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.1 m -122.32 165.59 16.02 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 107.593 -1.262 . . . . 32.44 107.593 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -160.76 152.36 19.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.074 -0.713 . . . . 75.2 109.074 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.637 ' SG ' HD21 ' B' ' 129' ' ' LEU . 34.3 m -89.14 109.09 20.0 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 123.789 0.681 . . . . 52.51 109.592 -176.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 12.2 ptt180 -94.53 138.61 32.22 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 121.56 0.695 . . . . 74.12 110.623 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 m -87.8 10.72 17.54 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.458 -1.246 . . . . 71.13 110.036 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . 178.78 -104.92 0.19 Allowed Glycine 0 N--CA 1.421 -2.329 0 N-CA-C 109.473 -1.451 . . . . 71.03 109.473 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -107.96 178.46 4.51 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.23 -0.656 . . . . 74.44 109.23 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' THR . 11.7 p -142.72 166.92 23.33 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.391 -0.966 . . . . 74.25 108.391 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.37 31.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.925 0.89 . . . . 70.53 112.059 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.5 t -169.65 36.64 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.69 -1.596 . . . . 54.5 106.69 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.95 85.14 1.26 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.155 -0.929 . . . . 71.3 110.341 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.02 18.07 0.37 Allowed 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.243 -1.762 . . . . 64.23 106.243 175.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -145.15 90.64 2.06 Favored 'General case' 0 N--CA 1.418 -2.071 0 CA-C-N 114.813 -1.085 . . . . 74.03 110.19 -176.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 19' ' ' VAL . 4.7 tt -102.19 110.75 22.79 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 105.218 -2.141 . . . . 74.45 105.218 170.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -105.72 -13.77 15.45 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.937 -0.574 . . . . 72.14 112.229 -174.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.89 164.15 34.1 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.615 -0.994 . . . . 63.22 110.615 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 16' ' ' LEU . 12.3 m -136.52 156.6 35.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 CA-C-O 121.49 0.662 . . . . 73.34 111.228 175.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.39 123.02 8.57 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 114.586 -1.188 . . . . 72.52 110.232 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.16 123.44 40.92 Favored 'General case' 0 CA--C 1.478 -1.818 0 N-CA-C 107.815 -1.18 . . . . 72.41 107.815 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' B' ' 127' ' ' TYR . 34.6 mt -134.04 124.94 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.15 0 CA-C-N 114.718 -1.128 . . . . 54.22 108.683 -173.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.0 p 52.56 31.74 10.49 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.236 1.414 . . . . 72.3 112.881 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.93 2.71 86.08 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 116.282 -0.417 . . . . 74.42 112.544 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -111.9 133.65 53.96 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.02 -1.474 . . . . 65.43 107.02 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.439 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.09 125.68 38.87 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.577 -0.849 . . . . 63.4 110.458 -174.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CE2' HD13 ' B' ' 122' ' ' ILE . 71.4 m-85 -107.38 130.09 54.84 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.127 -0.942 . . . . 70.33 110.614 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.475 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 70.5 mtt85 -109.41 155.47 21.22 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 109.124 -0.695 . . . . 74.01 109.124 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.694 HD21 ' SG ' ' B' ' 105' ' ' CYS . 52.3 mt -113.53 119.15 36.53 Favored 'General case' 0 C--N 1.267 -3.019 0 N-CA-C 108.871 -0.788 . . . . 72.54 108.871 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.5 p -119.39 120.05 35.75 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 107.243 -1.391 . . . . 73.4 107.243 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 t -112.57 148.41 34.6 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.162 -1.015 . . . . 74.24 110.82 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--O 1.254 1.303 0 CA-C-N 116.086 -0.506 . . . . 75.14 109.846 -176.685 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.404 0 CA-C-O 120.736 0.303 . . . . 64.2 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 19.6 m -127.23 112.11 14.73 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.762 -0.829 . . . . 74.23 108.762 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 32.0 m -126.82 168.81 13.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.222 -1.399 . . . . 53.52 107.222 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -160.17 148.21 16.71 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 120.799 0.333 . . . . 74.2 111.867 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.694 ' SG ' HD21 ' A' ' 29' ' ' LEU . 19.8 m -89.6 112.48 23.71 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.427 -0.806 . . . . 71.34 109.91 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' B' ' 130' ' ' CYS . 1.1 ppt_? -122.99 142.08 51.24 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 120.86 0.362 . . . . 62.22 111.646 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 48.5 p -89.45 2.67 54.21 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 121.338 0.589 . . . . 65.21 112.421 -173.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.38 -119.58 1.13 Allowed Glycine 0 N--CA 1.405 -3.414 0 N-CA-C 109.168 -1.573 . . . . 73.32 109.168 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -105.39 178.61 4.51 Favored 'General case' 0 C--N 1.277 -2.566 0 N-CA-C 109.147 -0.686 . . . . 73.43 109.147 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.55 168.55 18.45 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.519 -0.919 . . . . 71.22 108.519 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.25 74.48 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.053 -0.721 . . . . 72.11 109.053 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.9 t -75.82 108.67 8.84 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 104.895 -2.261 . . . . 74.44 104.895 165.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.572 17.8 mmm180 -72.12 82.31 0.98 Allowed 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 120.153 3.39 . . . . 74.04 120.153 -168.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.519 ' HG3' ' HB2' ' B' ' 116' ' ' LEU 0.33 37.2 tt0 63.01 88.09 0.1 Allowed 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 117.844 2.535 . . . . 73.04 117.844 168.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t -112.85 76.37 0.97 Allowed 'General case' 0 N--CA 1.399 -2.996 0 N-CA-C 102.65 -3.093 . . . . 73.43 102.65 163.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.614 HD21 HG13 ' B' ' 119' ' ' VAL . 4.4 tt -80.8 114.47 19.71 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 107.397 -1.334 . . . . 61.2 107.397 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.1 p -110.56 -13.97 14.15 Favored 'General case' 0 C--N 1.264 -3.114 0 CA-C-N 114.167 -1.379 . . . . 62.2 111.71 -173.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.43 163.77 35.95 Favored Glycine 0 N--CA 1.415 -2.74 0 N-CA-C 111.14 -0.784 . . . . 74.34 111.14 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.614 HG13 HD21 ' B' ' 116' ' ' LEU . 3.4 m -140.88 151.5 20.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 123.769 0.828 . . . . 74.21 110.856 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 8.3 p -149.34 116.02 5.91 Favored 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 114.876 -1.056 . . . . 51.41 108.511 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.446 ' HB2' HD22 ' B' ' 126' ' ' LEU . 32.8 tt0 -97.19 107.75 20.34 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 106.87 -1.53 . . . . 72.1 106.87 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.424 HD13 ' CE2' ' A' ' 27' ' ' TYR . 47.2 mt -122.74 135.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 114.6 -1.182 . . . . 75.23 108.258 -172.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 66.1 p 55.83 32.56 19.84 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.283 1.033 . . . . 74.12 111.868 -178.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.08 19.07 76.96 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.538 -0.756 . . . . 73.44 112.594 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.473 ' NE ' HG21 ' B' ' 107' ' ' THR . 56.3 ttt180 -124.08 136.94 54.59 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 105.963 -1.866 . . . . 74.31 105.963 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.54 120.2 33.53 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.813 -1.155 . . . . 73.04 108.988 -174.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 22' ' ' ILE . 88.1 m-85 -101.9 110.16 22.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.84 -0.618 . . . . 61.33 110.412 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.409 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 62.2 mtt85 -94.74 143.25 26.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 108.997 -0.742 . . . . 74.04 108.997 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.637 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.7 mt -105.97 124.49 49.66 Favored 'General case' 0 C--N 1.267 -3.015 0 CA-C-N 115.856 -0.611 . . . . 70.42 109.618 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.483 ' HB3' ' NH2' ' B' ' 106' ' ' ARG . 11.7 p -122.46 142.11 50.91 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 107.513 -1.291 . . . . 54.24 107.513 170.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.7 t -136.82 162.26 33.7 Favored 'General case' 0 N--CA 1.416 -2.158 0 C-N-CA 118.958 -1.097 . . . . 64.42 110.034 -172.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.432 -1.329 0 CA-C-N 116.256 -0.429 . . . . 74.05 110.542 -179.158 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.091 -0.707 . . . . 74.31 109.091 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.3 m -125.82 112.07 15.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.765 -1.198 . . . . 65.31 107.765 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.8 m -128.7 165.42 20.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 74.34 107.723 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -156.37 150.92 25.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.459 0.171 . . . . 74.24 111.402 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' B' ' 129' ' ' LEU . 20.4 m -95.91 121.14 37.33 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 123.695 0.622 . . . . 61.35 109.986 -175.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 ptp180 -142.73 155.9 44.94 Favored 'General case' 0 C--O 1.202 -1.41 0 N-CA-C 110.21 -0.293 . . . . 73.04 110.21 175.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.403 HG21 ' NE ' ' A' ' 25' ' ' ARG . 23.7 p -92.03 9.33 33.7 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 112.774 0.657 . . . . 72.4 112.774 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.24 -146.95 5.01 Favored Glycine 0 N--CA 1.427 -1.964 0 C-N-CA 120.233 -0.984 . . . . 64.31 112.629 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -98.07 173.36 7.08 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 123.363 0.665 . . . . 73.54 109.605 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 9.5 p -143.83 159.94 41.64 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 120.539 -0.464 . . . . 65.45 110.69 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 86.28 1.61 Allowed 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 121.746 0.784 . . . . 72.34 111.133 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t 173.15 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 125.875 1.67 . . . . 74.51 106.965 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 57.15 132.01 0.0 OUTLIER 'General case' 0 C--N 1.359 1.003 0 N-CA-C 115.883 1.809 . . . . 71.31 115.883 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 69.69 7.58 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.707 -1.133 . . . . 71.23 113.739 175.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -93.46 26.21 3.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 106.851 -1.537 . . . . 64.15 106.851 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -78.35 124.21 27.85 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 104.81 -2.293 . . . . 74.04 104.81 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -118.86 -8.49 10.29 Favored 'General case' 0 C--N 1.271 -2.832 0 CA-C-N 115.359 -0.837 . . . . 74.23 112.631 -172.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.3 34.67 Favored Glycine 0 N--CA 1.419 -2.465 0 N-CA-C 110.82 -0.912 . . . . 54.23 110.82 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.496 ' HB ' HD11 ' A' ' 26' ' ' LEU . 9.4 m -136.45 154.82 33.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-O 120.995 0.426 . . . . 63.41 110.666 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.2 p -148.41 115.93 6.26 Favored 'General case' 0 C--N 1.28 -2.448 0 CA-C-N 115.248 -0.887 . . . . 31.25 110.182 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.614 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -97.06 123.3 40.76 Favored 'General case' 0 N--CA 1.402 -2.873 0 N-CA-C 107.738 -1.208 . . . . 70.02 107.738 179.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.471 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -129.84 123.45 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 114.259 -1.337 . . . . 51.15 108.714 -171.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.9 p 50.86 31.99 6.74 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 125.222 1.409 . . . . 51.01 113.467 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.2 -0.56 64.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.117 -0.564 . . . . 74.4 113.191 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' NE ' HG21 ' A' ' 7' ' ' THR . 41.8 ttt180 -113.12 134.55 54.5 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.97 -1.122 . . . . 72.14 107.97 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -93.95 118.53 31.6 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.126 -0.694 . . . . 70.02 109.126 -174.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 78.4 m-85 -101.26 127.82 47.69 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 123.258 0.623 . . . . 72.42 110.619 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -102.02 143.93 31.25 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 123.455 0.702 . . . . 74.34 109.904 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.725 HD21 ' SG ' ' B' ' 105' ' ' CYS . 58.1 mt -107.83 108.03 19.03 Favored 'General case' 0 N--CA 1.396 -3.143 0 N-CA-C 107.495 -1.298 . . . . 75.13 107.495 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -116.03 127.88 55.26 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 107.101 -1.444 . . . . 63.31 107.101 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -116.12 158.09 23.76 Favored 'General case' 0 C--N 1.281 -2.375 0 C-N-CA 119.899 -0.72 . . . . 40.4 110.164 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.259 1.588 0 N-CA-C 109.777 -0.453 . . . . 62.31 109.777 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 109.74 -0.467 . . . . 71.22 109.74 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' B' ' 132' ' ' ARG . 95.5 m -137.91 112.76 9.01 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.981 -0.748 . . . . 70.2 108.981 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 34.7 m -120.53 163.59 17.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.668 -1.604 . . . . 52.14 106.668 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -153.58 146.3 24.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 120.788 0.328 . . . . 54.44 111.703 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.725 ' SG ' HD21 ' A' ' 29' ' ' LEU . 27.8 m -88.99 102.76 15.4 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.33 -0.85 . . . . 64.52 110.091 -175.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.56 ' NH1' ' HA ' ' B' ' 109' ' ' ARG . 3.9 ppt_? -113.05 137.16 51.84 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 121.814 0.816 . . . . 73.35 112.741 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 36.5 p -88.64 -0.63 57.46 Favored 'General case' 0 C--N 1.267 -3.003 0 CA-C-N 114.883 -1.053 . . . . 73.04 113.782 -171.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.15 -88.46 0.13 Allowed Glycine 0 CA--C 1.47 -2.738 0 N-CA-C 109.796 -1.321 . . . . 35.4 109.796 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.56 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 28.3 ptt180 -136.56 178.41 7.09 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.235 -0.654 . . . . 75.21 109.235 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.485 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 6.2 p -142.55 167.82 21.19 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 107.806 -1.183 . . . . 72.22 107.806 173.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.32 -7.82 49.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.404 0.621 . . . . 64.2 110.63 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.1 t -107.61 79.19 1.26 Allowed 'General case' 0 N--CA 1.409 -2.49 0 CA-C-O 122.88 1.324 . . . . 44.52 108.173 171.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -62.91 144.58 56.59 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.823 -1.081 . . . . 74.31 112.059 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 67.72 6.1 4.84 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 114.218 1.192 . . . . 71.0 114.218 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 20.2 t -92.66 32.99 1.16 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 107.609 -1.256 . . . . 60.35 107.609 175.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.461 HD21 HG13 ' B' ' 119' ' ' VAL . 3.6 tt -77.93 121.85 24.71 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 105.63 -1.989 . . . . 65.33 105.63 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.0 p -118.87 -5.11 10.62 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-N 114.913 -1.04 . . . . 75.41 112.572 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.09 164.09 33.89 Favored Glycine 0 N--CA 1.43 -1.704 0 N-CA-C 110.939 -0.864 . . . . 70.25 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.461 HG13 HD21 ' B' ' 116' ' ' LEU . 5.3 m -140.57 151.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-O 121.199 0.523 . . . . 75.32 111.292 176.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.4 p -153.07 117.05 4.81 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.603 -1.181 . . . . 74.52 109.252 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.511 ' HB2' HD22 ' B' ' 126' ' ' LEU . 41.5 tt0 -96.51 112.31 24.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.077 -1.453 . . . . 62.32 107.077 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.433 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 36.2 mt -127.35 135.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 N-CA-C 107.867 -1.161 . . . . 73.02 107.867 -173.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 48.1 p 53.98 32.41 15.36 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.384 1.074 . . . . 72.23 112.455 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.86 -3.79 78.03 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-N 115.835 -0.621 . . . . 62.33 113.41 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.632 ' NE ' HG21 ' B' ' 107' ' ' THR . 61.8 ttt180 -106.09 138.15 42.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.43 -1.322 . . . . 71.34 107.43 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -93.89 117.86 30.67 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.629 -0.878 . . . . 74.52 108.629 -175.083 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.471 ' CE2' HD13 ' A' ' 22' ' ' ILE . 81.1 m-85 -98.99 106.58 18.85 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.361 0.601 . . . . 74.54 110.532 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.525 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 66.0 mtt85 -91.95 139.55 30.54 Favored 'General case' 0 CA--C 1.478 -1.801 0 N-CA-C 108.786 -0.82 . . . . 74.41 108.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.668 HD21 ' SG ' ' A' ' 5' ' ' CYS . 53.1 mt -104.29 122.38 45.29 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 108.346 -0.983 . . . . 64.53 108.346 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.516 ' HB3' HH21 ' B' ' 106' ' ' ARG . 21.1 p -126.68 143.35 51.26 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.56 -1.274 . . . . 75.45 107.56 171.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.2 t -136.83 153.27 50.84 Favored 'General case' 0 N--CA 1.406 -2.638 0 C-N-CA 118.691 -1.204 . . . . 54.34 111.511 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 102' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.933 0 CA-C-N 115.484 -0.78 . . . . 62.12 110.29 175.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 109.316 -0.624 . . . . 65.35 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -130.06 112.16 13.19 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.222 -0.658 . . . . 72.44 109.222 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -122.0 168.19 12.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.792 -1.188 . . . . 61.41 107.792 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -159.47 134.19 7.93 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.717 0.294 . . . . 74.33 111.189 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.624 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.3 m -83.42 120.38 25.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.911 -0.774 . . . . 62.43 108.911 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -138.36 160.79 38.59 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.565 -0.854 . . . . 73.42 111.276 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.51 HG21 ' NE ' ' A' ' 25' ' ' ARG . 21.1 p -92.84 5.12 52.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 113.164 0.801 . . . . 63.13 113.164 -174.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.33 -148.95 4.86 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.908 -1.139 . . . . 62.41 111.435 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -97.77 161.03 13.95 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 120.787 0.327 . . . . 74.04 110.365 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 p -125.6 168.6 13.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.903 -1.147 . . . . 73.5 107.903 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.3 65.13 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 118.226 0.466 . . . . 71.2 110.467 -172.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -80.96 88.46 5.91 Favored 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.101 -1.814 . . . . 71.24 106.101 167.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -80.0 154.43 28.21 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.372 -0.83 . . . . 75.44 109.044 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 69.69 12.44 8.06 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 122.77 1.271 . . . . 72.21 110.299 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 46.7 t -90.89 12.65 18.8 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.819 -1.082 . . . . 74.54 108.183 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 19' ' ' VAL . 4.0 tt -77.2 112.36 13.81 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 105.598 -2.001 . . . . 72.42 105.598 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -113.72 -10.55 13.04 Favored 'General case' 0 C--N 1.27 -2.865 0 CA-C-N 113.984 -1.462 . . . . 75.12 111.19 -172.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.19 164.03 34.37 Favored Glycine 0 N--CA 1.408 -3.173 0 N-CA-C 109.816 -1.313 . . . . 64.12 109.816 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.544 HG13 HD21 ' A' ' 16' ' ' LEU . 27.2 m -139.92 159.75 26.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-O 121.166 0.508 . . . . 73.2 109.912 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 p -147.35 126.04 12.59 Favored 'General case' 0 C--N 1.27 -2.87 0 CA-C-N 115.176 -0.92 . . . . 53.34 109.31 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.9 120.68 38.73 Favored 'General case' 0 N--CA 1.405 -2.694 0 N-CA-C 107.729 -1.211 . . . . 65.11 107.729 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' B' ' 127' ' ' TYR . 50.2 mt -133.97 126.59 50.55 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 114.426 -1.261 . . . . 60.44 108.287 -173.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 p 55.96 31.7 18.42 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.294 1.438 . . . . 74.2 112.26 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.06 20.47 79.32 Favored Glycine 0 CA--C 1.504 -0.621 0 N-CA-C 111.856 -0.498 . . . . 74.22 111.856 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' NE ' HG21 ' A' ' 7' ' ' THR . 66.5 ttt180 -127.56 138.8 52.99 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.693 -1.595 . . . . 72.4 106.693 -177.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -93.91 129.24 40.42 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.599 -0.841 . . . . 71.24 111.463 -174.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 83.2 m-85 -111.32 117.13 32.29 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 114.686 -1.143 . . . . 70.14 109.719 176.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -97.98 144.45 27.49 Favored 'General case' 0 CA--C 1.471 -2.061 0 N-CA-C 108.959 -0.756 . . . . 74.22 108.959 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.695 HD21 ' SG ' ' B' ' 105' ' ' CYS . 62.7 mt -108.55 108.21 19.02 Favored 'General case' 0 N--CA 1.403 -2.824 0 CA-C-N 115.546 -0.752 . . . . 75.43 109.302 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' SER . 27.1 p -112.27 138.51 48.87 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.195 -1.039 . . . . 65.33 108.195 172.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.8 t -143.63 156.31 44.53 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 119.713 -0.795 . . . . 72.11 111.417 -167.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.255 1.351 0 CA-C-N 115.672 -0.695 . . . . 55.33 109.707 -178.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.124 -0.324 . . . . 74.31 110.124 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 87.0 m -137.36 112.06 8.81 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.778 -0.823 . . . . 74.12 108.778 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 31.7 m -124.04 164.84 18.57 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.774 -1.195 . . . . 70.1 107.774 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -156.52 143.66 18.9 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.628 0.251 . . . . 73.53 110.926 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.695 ' SG ' HD21 ' A' ' 29' ' ' LEU . 49.1 m -79.77 113.16 17.71 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.502 -0.772 . . . . 41.33 109.138 -177.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.822 ' HD3' ' SG ' ' B' ' 130' ' ' CYS . 13.2 mtm180 -93.75 151.54 19.55 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 107.935 -1.135 . . . . 74.34 107.935 -178.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 40.8 p -103.75 13.71 32.49 Favored 'General case' 0 C--N 1.269 -2.927 0 CA-C-O 122.485 1.136 . . . . 74.0 109.083 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.502 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -179.06 -102.93 0.16 Allowed Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 113.884 -1.507 . . . . 72.33 109.386 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -118.8 167.4 11.73 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.26 0.624 . . . . 75.32 110.553 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.536 ' O ' ' HD3' ' B' ' 113' ' ' ARG . 26.3 p -133.43 163.11 30.09 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 108.485 -0.931 . . . . 75.13 108.485 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.441 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -73.32 78.92 1.34 Allowed 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.39 0.515 . . . . 64.54 112.39 -176.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 9.0 t 171.7 -43.39 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.282 1.033 . . . . 71.04 109.872 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' B' ' 110' ' ' CYS . 0.1 OUTLIER 56.22 -172.99 0.07 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.239 0.615 . . . . 74.42 112.043 -175.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 70.16 -55.7 0.6 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.871 1.268 . . . . 73.54 111.944 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.3 t -77.68 78.22 4.19 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-O 121.565 0.698 . . . . 45.23 110.974 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.631 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -101.04 115.12 29.73 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 103.688 -2.708 . . . . 70.51 103.688 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.0 p -111.34 -4.82 14.78 Favored 'General case' 0 C--N 1.274 -2.712 0 CA-C-N 115.754 -0.657 . . . . 75.15 112.583 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 162.84 32.17 Favored Glycine 0 N--CA 1.42 -2.433 0 C-N-CA 120.608 -0.806 . . . . 71.21 111.367 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.631 HG13 HD21 ' B' ' 116' ' ' LEU . 3.1 m -143.56 143.54 24.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 123.508 0.723 . . . . 73.21 111.132 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.2 p -146.21 116.25 7.37 Favored 'General case' 0 C--N 1.273 -2.722 0 CA-C-N 114.823 -1.081 . . . . 73.01 109.621 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.552 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -97.61 121.78 39.92 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 108.075 -1.083 . . . . 72.22 108.075 177.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.522 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 20.2 mt -135.25 130.73 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.94 0 CA-C-N 114.313 -1.312 . . . . 62.34 108.148 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p 54.78 31.36 15.38 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 125.845 1.658 . . . . 62.23 112.567 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.66 14.03 78.79 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 120.971 -0.633 . . . . 74.2 112.768 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.454 ' HD3' ' OH ' ' B' ' 127' ' ' TYR . 65.6 ttt180 -122.99 136.73 54.97 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 107.212 -1.403 . . . . 73.43 107.212 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.99 118.37 31.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 119.551 -0.86 . . . . 63.44 109.436 -175.516 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' B' ' 106' ' ' ARG . 95.6 m-85 -100.71 111.78 24.07 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.318 -0.856 . . . . 72.11 109.505 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 62.8 mtt85 -94.8 152.83 18.09 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 116.063 -0.517 . . . . 73.0 109.844 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.624 HD21 ' SG ' ' A' ' 5' ' ' CYS . 55.2 mt -115.65 124.29 50.52 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 108.994 -0.743 . . . . 62.41 108.994 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.822 ' SG ' ' HD3' ' B' ' 106' ' ' ARG . 29.9 p -124.46 142.39 51.36 Favored 'General case' 0 CA--C 1.474 -1.951 0 N-CA-C 105.152 -2.166 . . . . 62.23 105.152 170.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 34.3 t -142.31 155.86 45.22 Favored 'General case' 0 N--CA 1.411 -2.421 0 C-N-CA 118.034 -1.466 . . . . 60.24 111.843 -171.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 N--CA 1.413 -2.3 0 N-CA-C 107.941 -1.133 . . . . 71.54 107.941 176.216 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 110.173 -0.306 . . . . 74.23 110.173 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 m -119.1 112.62 19.77 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 107.823 -1.177 . . . . 72.51 107.823 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.5 m -121.97 164.52 17.47 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.941 -1.503 . . . . 42.31 106.941 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -154.53 150.84 28.21 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 118.112 0.415 . . . . 64.05 111.683 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.7 ' SG ' HD21 ' B' ' 129' ' ' LEU . 16.9 m -98.36 120.02 38.04 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 123.876 0.735 . . . . 73.5 109.96 -174.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 14.2 ptp180 -137.02 168.32 19.82 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.784 0.661 . . . . 75.43 112.784 176.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 67.4 p -87.53 -12.55 45.5 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.962 -0.563 . . . . 45.04 112.025 -174.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -146.9 -131.05 2.15 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.022 -1.085 . . . . 62.25 112.846 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -97.84 169.35 9.72 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 122.769 0.428 . . . . 73.24 110.731 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 6' ' ' ARG . 8.3 p -135.38 160.43 38.44 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.261 -0.427 . . . . 71.2 110.08 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -74.92 79.03 2.15 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.345 0.593 . . . . 32.51 111.036 -178.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 12.1 t 174.11 -44.99 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 114.111 -1.404 . . . . 74.15 108.575 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 60.42 -179.68 0.1 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 123.667 0.787 . . . . 75.2 111.07 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 70.61 -48.28 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.765 1.226 . . . . 65.03 113.416 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 31.3 m -73.72 25.77 0.07 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 124.842 1.257 . . . . 72.11 113.089 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.52 112.96 16.12 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 104.79 -2.3 . . . . 55.44 104.79 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 p -115.75 -1.79 12.57 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.827 -1.079 . . . . 63.13 112.796 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.26 163.49 33.52 Favored Glycine 0 N--CA 1.415 -2.74 0 C-N-CA 120.314 -0.946 . . . . 73.13 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.01 152.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 C-N-CA 123.196 0.598 . . . . 63.21 110.176 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.8 p -148.21 119.9 8.05 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.996 -1.002 . . . . 74.11 109.63 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.41 117.75 32.35 Favored 'General case' 0 N--CA 1.413 -2.275 0 N-CA-C 107.836 -1.172 . . . . 75.15 107.836 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.448 HD13 ' CE2' ' B' ' 127' ' ' TYR . 59.6 mt -126.92 123.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 CA-C-N 113.44 -1.709 . . . . 74.11 109.337 -171.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p 51.69 32.09 8.84 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.132 1.373 . . . . 74.44 113.548 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.93 10.34 64.81 Favored Glycine 0 C--O 1.242 0.618 0 C-N-CA 120.546 -0.835 . . . . 45.52 112.817 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.1 136.65 54.38 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 108.224 -1.028 . . . . 73.55 108.224 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.53 121.91 35.42 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.724 -0.843 . . . . 73.44 108.724 -176.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 72.1 m-85 -103.65 123.97 47.97 Favored 'General case' 0 C--N 1.283 -2.311 0 CA-C-N 115.681 -0.69 . . . . 75.24 110.361 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 65.2 mtt85 -102.85 143.4 32.51 Favored 'General case' 0 CA--C 1.464 -2.337 0 CA-C-N 115.293 -0.867 . . . . 72.43 109.337 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD21 ' SG ' ' B' ' 105' ' ' CYS . 47.2 mt -108.74 107.92 18.55 Favored 'General case' 0 N--CA 1.399 -3.013 0 N-CA-C 107.671 -1.233 . . . . 73.25 107.671 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' SER . 28.1 p -112.53 121.28 44.36 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 107.338 -1.356 . . . . 54.54 107.338 173.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -109.21 158.41 17.85 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.955 -0.698 . . . . 54.43 110.738 -169.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--O 1.259 1.565 0 CA-C-N 116.334 -0.394 . . . . 75.15 110.053 -177.775 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.275 -0.639 . . . . 43.13 109.275 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 42.4 m -123.44 111.34 16.22 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 108.79 -0.819 . . . . 73.51 108.79 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' B' ' 131' ' ' CYS . 33.9 m -125.62 165.84 17.81 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.638 -1.615 . . . . 72.42 106.638 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -160.35 153.98 22.45 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 118.311 0.505 . . . . 72.42 111.9 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.735 ' SG ' HD21 ' A' ' 29' ' ' LEU . 32.2 m -94.52 110.49 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.606 -0.724 . . . . 73.03 110.439 -174.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.582 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.318 2.9 ppt_? -116.64 136.19 53.17 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 114.895 1.443 . . . . 71.54 114.895 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 76.3 p -78.04 -1.91 34.62 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.761 -1.563 . . . . 72.31 112.355 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.93 -98.26 0.15 Allowed Glycine 0 CA--C 1.472 -2.604 0 N-CA-C 109.307 -1.517 . . . . 73.54 109.307 -175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.473 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 35.4 ptt180 -124.92 178.34 5.56 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 116.928 0.364 . . . . 72.33 110.215 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.539 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 7.5 p -140.95 148.03 39.74 Favored 'General case' 0 C--O 1.248 1.026 0 N-CA-C 108.962 -0.755 . . . . 75.42 108.962 174.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.61 78.4 1.99 Allowed 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.965 0.888 . . . . 63.14 112.132 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.8 t 177.68 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 113.958 -1.473 . . . . 75.43 107.584 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 53.44 -164.13 0.09 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 123.735 0.814 . . . . 70.54 111.521 177.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 71.99 -48.03 0.67 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.893 1.277 . . . . 74.54 113.366 173.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.5 t -102.85 88.62 3.24 Favored 'General case' 0 N--CA 1.418 -2.07 0 CA-C-O 121.445 0.641 . . . . 62.33 111.555 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.539 HD21 HG13 ' B' ' 119' ' ' VAL . 3.5 tt -99.87 117.03 33.32 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 103.647 -2.723 . . . . 51.21 103.647 169.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.7 p -107.95 -7.35 16.23 Favored 'General case' 0 C--N 1.278 -2.541 0 N-CA-C 113.76 1.022 . . . . 60.45 113.76 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.32 163.58 32.94 Favored Glycine 0 N--CA 1.424 -2.162 0 C-N-CA 120.235 -0.983 . . . . 71.31 110.937 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.539 HG13 HD21 ' B' ' 116' ' ' LEU . 6.3 m -137.68 146.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.463 0.649 . . . . 74.34 110.768 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.1 p -146.87 117.72 7.64 Favored 'General case' 0 C--N 1.27 -2.878 0 CA-C-N 114.965 -1.016 . . . . 65.02 109.737 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.488 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.1 OUTLIER -97.23 121.05 38.68 Favored 'General case' 0 N--CA 1.415 -2.187 0 N-CA-C 107.097 -1.446 . . . . 62.13 107.097 178.228 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.472 HD13 ' CE2' ' A' ' 27' ' ' TYR . 34.9 mt -131.76 124.82 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 0 CA-C-N 114.244 -1.344 . . . . 73.51 108.615 -172.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p 54.26 31.58 14.49 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 125.59 1.556 . . . . 44.15 113.068 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.63 18.42 61.91 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.754 -0.736 . . . . 62.21 112.609 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -127.88 136.87 51.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.236 -1.024 . . . . 73.34 108.236 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.03 121.32 35.39 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 119.758 -0.777 . . . . 74.12 109.584 -176.491 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.448 ' CE2' HD13 ' A' ' 22' ' ' ILE . 80.9 m-85 -103.67 113.84 27.66 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 115.416 -0.811 . . . . 74.23 109.793 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.506 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 58.8 mtt85 -97.98 142.72 29.35 Favored 'General case' 0 CA--C 1.472 -2.028 0 N-CA-C 108.186 -1.042 . . . . 71.55 108.186 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.7 HD21 ' SG ' ' A' ' 5' ' ' CYS . 60.6 mt -105.0 126.21 51.81 Favored 'General case' 0 C--N 1.262 -3.204 0 N-CA-C 108.382 -0.969 . . . . 65.02 108.382 -178.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.582 ' HB3' HH21 ' B' ' 106' ' ' ARG . 11.5 p -129.04 142.88 50.76 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 108.438 -0.949 . . . . 74.2 108.438 173.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' B' ' 103' ' ' CYS . 5.5 t -126.47 147.57 49.8 Favored 'General case' 0 N--CA 1.404 -2.772 0 N-CA-C 108.648 -0.871 . . . . 74.13 108.648 -174.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.304 -1.376 0 O-C-N 123.175 0.297 . . . . 62.44 111.253 -174.781 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 109.45 -0.574 . . . . 74.52 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.534 ' HB ' ' HG2' ' A' ' 32' ' ' ARG . 34.3 m -109.57 110.6 21.72 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.267 -1.012 . . . . 73.03 108.267 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' B' ' 117' ' ' SER . 7.2 m -132.03 160.34 36.16 Favored 'General case' 0 N--CA 1.418 -2.033 0 N-CA-C 105.065 -2.198 . . . . 74.5 105.065 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -157.69 151.77 24.44 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 118.203 0.456 . . . . 72.43 111.405 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.656 ' SG ' HD21 ' B' ' 129' ' ' LEU . 28.1 m -87.3 94.64 9.73 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 124.119 0.887 . . . . 74.03 110.128 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' NH1' ' HA ' ' A' ' 9' ' ' ARG . 12.5 ptt180 -93.0 139.38 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.378 -0.374 . . . . 75.51 111.545 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.03 0.36 53.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.227 -0.442 . . . . 44.53 111.159 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' O ' ' HD2' ' A' ' 6' ' ' ARG . . . -156.29 -117.25 0.55 Allowed Glycine 0 N--CA 1.422 -2.286 0 N-CA-C 110.713 -0.955 . . . . 53.55 110.713 -174.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . 38.7 ptt180 -111.4 177.81 4.54 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 116.989 0.394 . . . . 71.41 110.709 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 p -146.24 169.03 19.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.229 -1.767 . . . . 54.5 106.229 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -22.2 62.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.759 0.709 . . . . 50.22 110.269 -174.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -84.56 77.29 10.06 Favored 'General case' 0 N--CA 1.417 -2.117 0 CA-C-O 123.09 1.424 . . . . 60.51 108.414 170.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.23 153.63 42.86 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.471 -1.24 . . . . 73.43 110.735 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 73.58 -17.08 0.45 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.773 1.229 . . . . 72.22 111.585 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -85.79 75.13 10.09 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 122.212 1.006 . . . . 64.02 110.46 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.717 HD21 HG13 ' A' ' 19' ' ' VAL . 4.3 tt -101.8 114.46 28.55 Favored 'General case' 0 N--CA 1.415 -2.212 0 N-CA-C 105.92 -1.881 . . . . 50.14 105.92 172.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -102.88 -15.78 16.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.837 -1.074 . . . . 73.13 111.224 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.35 164.32 34.7 Favored Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 110.732 -0.947 . . . . 51.02 110.732 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.717 HG13 HD21 ' A' ' 16' ' ' LEU . 4.1 m -143.14 149.58 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.025 0 CA-C-O 121.567 0.699 . . . . 53.34 112.531 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -152.93 114.88 4.34 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.062 -1.426 . . . . 74.11 108.39 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HB2' HD22 ' A' ' 26' ' ' LEU . 36.4 tt0 -96.67 107.86 20.38 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.797 -1.186 . . . . 71.35 107.797 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.454 HD13 ' CE2' ' B' ' 127' ' ' TYR . 28.0 mt -125.66 135.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-N 114.706 -1.133 . . . . 74.32 109.04 -170.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 52.48 32.86 12.11 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.575 1.15 . . . . 64.34 113.108 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.17 -2.12 87.6 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.731 -0.747 . . . . 73.04 112.811 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -108.4 143.04 37.87 Favored 'General case' 0 CA--C 1.454 -2.726 0 CA-C-O 121.12 0.486 . . . . 70.13 110.445 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -94.57 111.88 23.64 Favored 'General case' 0 C--N 1.258 -3.381 0 N-CA-C 106.269 -1.752 . . . . 62.11 106.269 178.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' B' ' 122' ' ' ILE . 81.2 m-85 -93.78 102.63 14.77 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-O 121.8 0.809 . . . . 74.44 109.756 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 58.1 mtt85 -90.85 146.19 24.14 Favored 'General case' 0 CA--C 1.47 -2.1 0 CA-C-N 114.885 -1.052 . . . . 74.22 108.32 177.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD11 ' SG ' ' B' ' 105' ' ' CYS . 51.6 mt -109.65 112.64 24.83 Favored 'General case' 0 C--N 1.254 -3.563 0 N-CA-C 108.246 -1.02 . . . . 61.24 108.246 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HB3' HH21 ' A' ' 6' ' ' ARG . 20.3 p -112.15 137.52 50.11 Favored 'General case' 0 CA--C 1.474 -1.957 0 N-CA-C 108.144 -1.058 . . . . 74.22 108.144 171.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.4 t -133.13 140.28 47.54 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.603 -0.888 . . . . 71.53 108.603 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 21.6 ptt180 . . . . . 0 C--N 1.318 -0.764 0 C-N-CA 120.393 -0.523 . . . . 74.42 111.109 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.525 0 CA-C-O 120.746 0.308 . . . . 51.44 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.9 m -112.8 111.99 23.16 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.605 -1.257 . . . . 71.44 107.605 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 47.2 m -118.53 157.8 26.62 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.61 -0.885 . . . . 61.04 108.61 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.17 137.11 16.27 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 120.992 0.425 . . . . 74.34 111.986 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.599 ' SG ' HD11 ' A' ' 29' ' ' LEU . 25.1 m -81.76 112.04 18.55 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.111 -0.949 . . . . 73.24 109.404 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.543 HH21 ' HB3' ' B' ' 130' ' ' CYS 0.306 1.0 OUTLIER -118.04 136.26 53.66 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 114.33 1.233 . . . . 65.54 114.33 179.584 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 40.1 p -83.68 18.74 1.83 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 114.345 -1.298 . . . . 43.35 111.746 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.78 -114.13 0.3 Allowed Glycine 0 N--CA 1.405 -3.416 0 N-CA-C 109.588 -1.405 . . . . 65.01 109.588 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.492 ' HA ' ' NH1' ' B' ' 106' ' ' ARG . 40.0 ptt180 -115.51 178.6 4.24 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 122.965 0.506 . . . . 62.02 109.686 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 6.1 p -145.67 169.05 19.23 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.131 -1.803 . . . . 73.44 106.131 176.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.11 -20.36 63.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 119.292 0.951 . . . . 74.23 110.681 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 5.8 t -86.25 93.39 9.05 Favored 'General case' 0 N--CA 1.428 -1.559 0 N-CA-C 107.745 -1.206 . . . . 71.43 107.745 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -87.34 -20.36 26.87 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.31 -0.859 . . . . 74.11 111.741 -174.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -83.6 3.24 33.53 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.542 -0.299 . . . . 72.05 110.71 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.8 t -129.83 84.88 2.25 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 113.777 1.029 . . . . 64.23 113.777 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.509 HD21 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -101.97 112.63 25.34 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 104.65 -2.352 . . . . 73.22 104.65 165.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.438 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 14.8 m -101.27 -17.57 16.51 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 115.49 -0.777 . . . . 61.03 111.842 -171.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.88 35.13 Favored Glycine 0 N--CA 1.425 -2.095 0 C-N-CA 120.763 -0.732 . . . . 54.33 111.291 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.509 HG13 HD21 ' B' ' 116' ' ' LEU . 3.6 m -137.24 144.18 32.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 123.185 0.594 . . . . 74.34 111.029 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 8.0 p -145.61 119.05 9.02 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.112 -0.949 . . . . 63.12 109.764 175.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.512 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.2 OUTLIER -97.95 122.23 40.82 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.838 -1.171 . . . . 73.42 107.838 178.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 27' ' ' TYR . 23.0 mt -134.98 128.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.123 0 CA-C-N 114.517 -1.219 . . . . 72.14 107.752 -173.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 80.1 p 54.98 31.81 16.8 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 125.448 1.499 . . . . 65.01 112.543 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 82.94 4.58 89.95 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 120.864 -0.684 . . . . 64.24 112.292 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.402 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 39.2 ttm180 -112.93 136.84 52.14 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.338 -1.356 . . . . 65.24 107.338 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.4 123.77 38.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 119.307 -0.957 . . . . 71.14 109.354 -176.52 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.454 ' CE2' HD13 ' A' ' 22' ' ' ILE . 83.5 m-85 -106.07 109.12 20.96 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.471 -0.786 . . . . 65.24 109.949 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 53.7 mtt85 -93.53 147.26 23.15 Favored 'General case' 0 CA--C 1.481 -1.688 0 N-CA-C 108.962 -0.755 . . . . 73.44 108.962 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.656 HD21 ' SG ' ' A' ' 5' ' ' CYS . 64.7 mt -109.98 120.34 42.16 Favored 'General case' 0 C--N 1.274 -2.713 0 CA-C-N 115.844 -0.616 . . . . 74.23 109.513 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.543 ' HB3' HH21 ' B' ' 106' ' ' ARG . 3.5 p -117.34 137.27 52.56 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.617 -0.882 . . . . 70.51 108.617 170.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 17.1 t -139.3 150.32 45.28 Favored 'General case' 0 N--CA 1.404 -2.77 0 C-N-CA 119.329 -0.949 . . . . 73.02 110.592 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -2.024 0 CA-C-N 114.738 -1.119 . . . . 71.42 109.97 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.416 0 N-CA-C 109.107 -0.701 . . . . 70.21 109.107 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' A' ' 32' ' ' ARG . 50.0 m -107.8 111.24 23.31 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 107.893 -1.151 . . . . 71.3 107.893 176.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -124.18 157.85 33.75 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.095 -1.446 . . . . 74.14 107.095 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -158.64 148.5 19.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.327 -0.99 . . . . 72.1 108.327 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.733 ' SG ' HD21 ' B' ' 129' ' ' LEU . 28.9 m -88.48 107.0 18.64 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.632 -0.507 . . . . 71.33 109.632 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -118.6 160.25 22.13 Favored 'General case' 0 C--O 1.193 -1.869 0 C-N-CA 119.794 -0.762 . . . . 64.32 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.574 HG21 ' NE ' ' A' ' 25' ' ' ARG . 62.0 p -100.81 8.35 43.25 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 113.184 0.809 . . . . 61.35 113.184 -173.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.3 -136.49 2.49 Favored Glycine 0 CA--C 1.482 -2.027 0 C-N-CA 118.5 -1.809 . . . . 64.0 112.713 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -97.36 162.47 13.31 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 109.809 -0.441 . . . . 71.13 109.809 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 p -125.03 171.78 9.97 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.004 -1.48 . . . . 62.14 107.004 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.75 65.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.139 0.881 . . . . 72.11 110.614 -171.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -95.55 92.49 6.67 Favored 'General case' 0 N--CA 1.408 -2.569 0 N-CA-C 106.398 -1.704 . . . . 54.55 106.398 167.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 110.81 7.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.162 -0.681 . . . . 64.42 109.162 -172.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.327 44.4 mt-10 82.17 76.5 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.15 1.452 . . . . 64.25 113.821 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.6 m -142.06 35.16 1.54 Allowed 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 103.656 -2.72 . . . . 71.4 103.656 173.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.732 HD21 HG13 ' A' ' 19' ' ' VAL . 3.1 tt -78.8 120.75 23.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 111.933 -2.394 . . . . 74.41 107.539 -175.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 p -111.54 -6.9 14.35 Favored 'General case' 0 C--N 1.277 -2.577 0 CA-C-N 114.938 -1.028 . . . . 62.35 111.834 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.43 161.14 30.04 Favored Glycine 0 N--CA 1.426 -1.991 0 N-CA-C 110.275 -1.13 . . . . 73.11 110.275 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.732 HG13 HD21 ' A' ' 16' ' ' LEU . 2.7 m -139.16 144.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-O 121.307 0.575 . . . . 62.15 111.708 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.93 118.11 11.3 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 115.009 -0.996 . . . . 72.01 110.184 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.666 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.43 124.05 41.48 Favored 'General case' 0 N--CA 1.41 -2.435 0 N-CA-C 107.271 -1.381 . . . . 73.12 107.271 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' B' ' 127' ' ' TYR . 37.6 mt -128.78 114.47 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 CA-C-N 115.43 -0.804 . . . . 63.23 109.148 -174.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 p 53.77 31.25 12.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 126.157 1.783 . . . . 71.42 113.459 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.48 -10.34 57.76 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.972 -0.632 . . . . 71.12 113.726 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' NE ' HG21 ' A' ' 7' ' ' THR . 54.1 ttt180 -104.19 130.7 51.95 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.496 -1.668 . . . . 75.3 106.496 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -94.31 119.67 33.42 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.635 -0.826 . . . . 64.23 108.96 -174.171 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 97.1 m-85 -99.96 111.04 23.36 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-N 115.8 -0.636 . . . . 64.43 109.89 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -92.35 143.1 26.73 Favored 'General case' 0 CA--C 1.477 -1.828 0 C-N-CA 123.84 0.856 . . . . 74.24 109.754 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.653 HD21 ' SG ' ' B' ' 105' ' ' CYS . 57.3 mt -105.73 107.8 18.99 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 107.891 -1.152 . . . . 74.51 107.891 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.6 115.47 26.49 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.652 -1.61 . . . . 63.35 106.652 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 t -113.74 147.78 37.65 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-N 115.164 -0.925 . . . . 75.31 111.019 -166.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.469 ' HG3' ' HB ' ' A' ' 2' ' ' THR . 17.8 ptm180 . . . . . 0 C--N 1.304 -1.383 0 CA-C-N 115.626 -0.716 . . . . 75.42 110.006 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.494 -0.558 . . . . 74.22 109.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 62.4 m -134.5 112.0 10.55 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.055 -1.091 . . . . 73.35 108.055 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 6.9 m -133.9 168.7 18.28 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.06 -1.459 . . . . 65.14 107.06 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -159.71 140.25 12.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.243 0.474 . . . . 75.34 111.932 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.653 ' SG ' HD21 ' A' ' 29' ' ' LEU . 20.3 m -87.79 115.57 25.33 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-N 115.389 -0.823 . . . . 71.21 109.284 -177.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -140.54 160.43 40.02 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.28 -0.968 . . . . 64.1 110.994 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.474 HG21 ' NE ' ' B' ' 125' ' ' ARG . 18.5 p -91.02 15.94 10.56 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 112.794 0.664 . . . . 74.41 112.794 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.01 -146.3 4.3 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 119.946 -1.121 . . . . 51.54 112.136 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -98.28 160.96 13.94 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-O 121.55 0.691 . . . . 73.31 110.896 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 55.8 m -125.51 168.19 13.98 Favored 'General case' 0 N--CA 1.394 -3.251 0 CA-C-N 114.669 -1.15 . . . . 72.45 108.471 -171.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.55 71.8 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.403 -1.332 . . . . 70.14 107.403 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.2 t -77.11 92.06 3.74 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 107.963 -1.125 . . . . 75.34 107.963 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -87.54 174.11 8.67 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.038 -0.983 . . . . 71.4 108.459 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 70.38 -51.21 0.66 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.961 0.905 . . . . 63.2 111.818 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 35.0 t -79.95 78.9 6.54 Favored 'General case' 0 N--CA 1.415 -2.199 0 CA-C-O 121.566 0.698 . . . . 61.33 112.701 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.569 HD21 HG13 ' B' ' 119' ' ' VAL . 3.2 tt -99.51 113.57 26.03 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 103.123 -2.917 . . . . 65.03 103.123 168.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 m -97.35 -19.6 18.39 Favored 'General case' 0 C--N 1.264 -3.137 0 CA-C-N 114.87 -1.059 . . . . 71.15 112.254 -168.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.26 164.78 34.85 Favored Glycine 0 N--CA 1.428 -1.846 0 N-CA-C 110.883 -0.887 . . . . 51.33 110.883 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.569 HG13 HD21 ' B' ' 116' ' ' LEU . 7.6 m -134.51 155.82 39.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 CA-C-O 121.032 0.444 . . . . 53.5 110.431 173.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 9.9 p -149.67 117.18 6.13 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 114.817 -1.083 . . . . 53.42 109.039 175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.561 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -97.74 118.74 34.96 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 107.362 -1.347 . . . . 74.03 107.362 178.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.485 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 37.0 mt -133.69 128.39 54.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 CA-C-N 114.361 -1.291 . . . . 74.33 108.323 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 68.5 p 56.53 32.32 20.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.243 1.417 . . . . 74.22 112.91 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 80.28 15.82 77.66 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.421 -0.419 . . . . 54.44 112.213 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.474 ' NE ' HG21 ' B' ' 107' ' ' THR . 52.2 ttt180 -126.86 135.25 50.72 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.118 -1.438 . . . . 74.45 107.118 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -94.08 118.84 32.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.811 -0.756 . . . . 75.23 109.359 -174.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 22' ' ' ILE . 86.7 m-85 -101.63 114.75 29.08 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.53 -0.759 . . . . 73.33 110.038 176.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -91.54 148.72 22.08 Favored 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 109.5 -0.556 . . . . 73.45 109.5 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.733 HD21 ' SG ' ' A' ' 5' ' ' CYS . 58.3 mt -114.4 106.74 14.66 Favored 'General case' 0 N--CA 1.39 -3.444 0 N-CA-C 106.733 -1.581 . . . . 62.34 106.733 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 14.6 p -106.48 136.06 46.9 Favored 'General case' 0 C--N 1.263 -3.17 0 N-CA-C 106.733 -1.58 . . . . 62.51 106.733 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 15.1 t -132.9 152.52 51.87 Favored 'General case' 0 N--CA 1.404 -2.763 0 C-N-CA 118.555 -1.258 . . . . 74.32 110.931 -174.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 132' ' ' ARG . 14.4 ptm180 . . . . . 0 N--CA 1.433 -1.317 0 CA-C-N 115.036 -0.984 . . . . 74.2 109.292 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.759 0 N-CA-C 109.041 -0.725 . . . . 63.03 109.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.2 m -118.98 112.01 19.05 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.568 -0.901 . . . . 74.55 108.568 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -124.25 165.77 17.05 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.235 -1.765 . . . . 74.11 106.235 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 26.8 p90 -158.87 152.63 23.23 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 118.041 0.382 . . . . 74.13 111.707 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.581 ' SG ' HD21 ' B' ' 129' ' ' LEU . 26.9 m -87.56 109.37 19.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.136 -0.938 . . . . 70.41 108.81 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 15.3 ptt180 -105.69 150.05 25.83 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 116.051 -0.522 . . . . 62.41 110.651 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -90.24 -4.79 56.98 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.328 0.585 . . . . 72.44 111.499 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.487 ' HA2' ' NH1' ' A' ' 28' ' ' ARG . . . -162.32 -110.37 0.25 Allowed Glycine 0 N--CA 1.414 -2.809 0 N-CA-C 110.378 -1.089 . . . . 72.44 110.378 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -98.14 177.82 5.28 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.029 -0.73 . . . . 73.44 109.029 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 17.5 p -146.46 145.62 30.27 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.141 -1.059 . . . . 43.22 108.141 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 85.6 1.51 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.606 0.717 . . . . 24.43 110.733 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t 173.14 -36.13 0.0 OUTLIER 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 126.204 1.802 . . . . 62.54 106.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 53.65 -173.92 0.04 OUTLIER 'General case' 0 C--N 1.373 1.595 0 N-CA-C 114.201 1.186 . . . . 75.22 114.201 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 69.32 -55.46 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.558 1.543 . . . . 63.11 114.285 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 18.5 m -80.89 77.0 7.81 Favored 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 112.653 0.612 . . . . 74.32 112.653 -175.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.507 HD21 HG13 ' A' ' 19' ' ' VAL . 4.5 tt -95.7 108.08 20.34 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 104.005 -2.591 . . . . 74.01 104.005 169.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -111.26 -5.9 14.62 Favored 'General case' 0 C--N 1.266 -3.035 0 CA-C-N 114.64 -1.164 . . . . 74.35 113.237 -168.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.92 163.64 33.3 Favored Glycine 0 N--CA 1.417 -2.588 0 N-CA-C 110.369 -1.092 . . . . 64.41 110.369 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG13 HD21 ' A' ' 16' ' ' LEU . 11.5 m -142.64 149.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 121.672 0.748 . . . . 72.41 110.987 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 5.9 p -146.01 114.97 6.95 Favored 'General case' 0 C--N 1.27 -2.852 0 CA-C-N 114.703 -1.135 . . . . 75.51 109.496 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' HD22 ' A' ' 26' ' ' LEU . 1.2 tm-20 -96.19 121.37 37.9 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.133 -1.062 . . . . 75.23 108.133 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' B' ' 127' ' ' TYR . 24.8 mt -134.04 127.83 52.13 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-N 114.143 -1.39 . . . . 75.13 107.89 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.3 p 52.4 32.5 11.31 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 124.857 1.263 . . . . 72.45 112.924 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 -6.5 83.22 Favored Glycine 0 C--O 1.244 0.748 0 C-N-CA 121.444 -0.408 . . . . 74.51 113.013 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -103.86 137.22 42.16 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.678 -0.86 . . . . 74.43 108.678 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.91 117.46 30.13 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 108.589 -0.893 . . . . 75.31 108.589 -176.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' CE2' HD13 ' B' ' 122' ' ' ILE . 80.2 m-85 -99.27 115.24 28.69 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-N 115.692 -0.685 . . . . 74.25 109.72 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.487 ' NH1' ' HA2' ' A' ' 8' ' ' GLY . 69.2 mtt85 -94.07 155.02 17.32 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 115.695 -0.684 . . . . 72.23 109.209 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.678 HD21 ' SG ' ' B' ' 105' ' ' CYS . 67.4 mt -116.43 126.45 53.45 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 109.236 -0.653 . . . . 70.54 109.236 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' SER . 24.3 p -128.51 142.27 51.13 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 107.21 -1.404 . . . . 51.2 107.21 172.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -131.33 150.27 52.22 Favored 'General case' 0 N--CA 1.415 -2.204 0 C-N-CA 119.003 -1.079 . . . . 74.32 110.159 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--O 1.256 1.406 0 N-CA-C 109.109 -0.7 . . . . 73.32 109.109 -178.468 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.503 0.192 . . . . 51.32 110.801 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.488 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 59.5 m -122.77 112.62 18.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.406 -0.961 . . . . 62.24 108.406 173.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.09 155.06 28.83 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.053 -1.462 . . . . 55.21 107.053 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -148.51 137.99 22.01 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.363 -0.535 . . . . 73.32 112.412 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.678 ' SG ' HD21 ' A' ' 29' ' ' LEU . 35.4 m -79.57 105.88 11.19 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.965 -1.016 . . . . 54.13 108.808 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.488 ' HD2' ' HB2' ' B' ' 128' ' ' ARG 0.269 0.4 OUTLIER -113.62 141.28 47.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.314 0.857 . . . . 63.51 113.314 -178.904 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 -2.68 48.01 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.771 -1.104 . . . . 71.05 112.63 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.485 ' O ' ' HD2' ' B' ' 128' ' ' ARG . . . -160.43 -105.42 0.2 Allowed Glycine 0 N--CA 1.415 -2.748 0 C-N-CA 120.075 -1.059 . . . . 70.34 110.655 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -98.72 179.34 4.7 Favored 'General case' 0 C--N 1.281 -2.403 0 N-CA-C 109.222 -0.659 . . . . 74.21 109.222 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.472 ' HB3' ' HG2' ' B' ' 106' ' ' ARG . 8.3 p -141.62 147.76 38.11 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.627 -0.879 . . . . 74.21 108.627 169.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' B' ' 112' ' ' THR . . . -72.88 87.21 1.3 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.689 0.757 . . . . 72.22 111.746 -174.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' B' ' 111' ' ' ALA . 13.5 t 169.22 -35.13 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 125.782 1.633 . . . . 73.41 106.661 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 63.67 151.21 0.04 OUTLIER 'General case' 0 C--N 1.364 1.208 0 N-CA-C 114.621 1.341 . . . . 73.42 114.621 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 46.79 72.91 0.21 Allowed 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.548 -1.206 . . . . 75.21 113.707 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 53.1 m -155.27 31.07 0.39 Allowed 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.203 -1.362 . . . . 75.15 107.918 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.564 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.92 118.43 20.93 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.837 -1.172 . . . . 75.13 107.837 -176.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.6 p -114.61 -8.31 12.72 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.596 -1.184 . . . . 72.32 112.587 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.94 163.61 33.24 Favored Glycine 0 N--CA 1.437 -1.295 0 N-CA-C 110.74 -0.944 . . . . 74.1 110.74 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.564 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -141.54 145.42 24.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.282 0.563 . . . . 60.43 111.748 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' B' ' 127' ' ' TYR . 7.3 p -145.03 116.9 8.23 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 114.922 -1.035 . . . . 65.54 109.077 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.44 ' HB2' HD22 ' B' ' 126' ' ' LEU . 43.6 tt0 -97.35 108.31 21.01 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.471 -0.937 . . . . 63.31 108.471 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 27' ' ' TYR . 28.8 mt -121.46 128.71 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 115.056 -0.975 . . . . 61.1 109.015 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.8 p 56.12 32.32 19.89 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.606 1.562 . . . . 64.03 113.144 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.05 -0.46 89.01 Favored Glycine 0 C--N 1.321 -0.299 0 C-N-CA 121.21 -0.519 . . . . 72.25 112.651 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.433 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 42.5 ttm180 -107.56 136.62 47.03 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 107.665 -1.235 . . . . 61.12 107.665 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.95 119.14 32.45 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 108.266 -1.013 . . . . 71.43 108.266 -176.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.568 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.8 m-85 -98.97 107.17 19.54 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-N 115.803 -0.635 . . . . 75.34 110.26 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.488 ' HB2' ' HD2' ' B' ' 106' ' ' ARG . 73.0 mtt85 -92.13 143.67 26.21 Favored 'General case' 0 CA--C 1.478 -1.826 0 CA-C-N 115.446 -0.797 . . . . 72.44 109.115 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.581 HD21 ' SG ' ' A' ' 5' ' ' CYS . 57.3 mt -107.44 132.05 53.62 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.896 -0.593 . . . . 74.22 109.555 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.475 ' HB3' HH21 ' B' ' 106' ' ' ARG . 7.5 p -133.17 141.94 48.37 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.727 -1.583 . . . . 42.13 106.727 169.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -132.37 157.98 43.12 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 118.602 -1.239 . . . . 64.34 111.384 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.488 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 16.4 ptm180 . . . . . 0 N--CA 1.423 -1.795 0 C-N-CA 124.169 0.988 . . . . 73.42 108.767 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 108.468 -0.938 . . . . 74.34 108.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.51 111.38 17.62 Favored 'General case' 0 N--CA 1.433 -1.294 0 N-CA-C 108.758 -0.83 . . . . 75.24 108.758 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 m -125.27 157.18 37.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 105.751 -1.944 . . . . 55.03 105.751 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -153.27 147.79 26.08 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 120.752 0.311 . . . . 74.51 110.483 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.628 ' SG ' HD21 ' B' ' 129' ' ' LEU . 32.6 m -86.52 103.14 14.76 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.381 -0.827 . . . . 72.35 108.807 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.542 HH11 ' HA ' ' A' ' 9' ' ' ARG . 12.8 ptt180 -91.84 145.0 24.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.991 0.424 . . . . 73.44 110.893 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -96.32 13.35 27.94 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.379 -0.828 . . . . 52.23 110.571 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.85 -111.41 0.25 Allowed Glycine 0 N--CA 1.417 -2.574 0 N-CA-C 109.707 -1.357 . . . . 44.24 109.707 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.542 ' HA ' HH11 ' A' ' 6' ' ' ARG . 15.4 ptt180 -111.63 178.59 4.28 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.766 -0.457 . . . . 62.33 109.766 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 12' ' ' THR . 9.5 p -144.71 165.82 26.98 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.834 -0.802 . . . . 63.14 108.834 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.4 29.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.891 0.853 . . . . 70.14 111.202 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.494 ' H ' ' C ' ' A' ' 10' ' ' CYS . 5.0 t -157.86 41.7 0.29 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.307 -1.738 . . . . 60.54 106.307 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -58.77 150.46 23.66 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.999 -1.0 . . . . 74.43 110.73 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 78.13 1.44 2.75 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.679 1.191 . . . . 72.34 112.33 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -103.26 38.75 1.7 Allowed 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 105.687 -1.968 . . . . 71.32 105.687 171.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.665 HD21 HG13 ' A' ' 19' ' ' VAL . 4.1 tt -78.78 119.35 21.87 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 106.514 -1.662 . . . . 72.05 106.514 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -106.2 -12.34 15.76 Favored 'General case' 0 C--N 1.273 -2.743 0 CA-C-N 114.955 -1.02 . . . . 61.45 112.792 -172.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.46 163.68 33.68 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 111.423 -0.671 . . . . 52.4 111.423 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.665 HG13 HD21 ' A' ' 16' ' ' LEU . 7.2 m -139.87 147.82 23.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-O 121.098 0.475 . . . . 75.04 111.235 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.8 p -147.01 119.88 8.7 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 114.611 -1.177 . . . . 64.22 109.047 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.24 108.51 21.25 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.031 -1.47 . . . . 75.23 107.031 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.419 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 35.7 mt -124.23 133.27 69.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 108.24 -1.022 . . . . 74.53 108.24 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p 54.17 32.26 15.59 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.425 1.09 . . . . 61.12 111.873 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.06 -17.32 33.02 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.767 -0.651 . . . . 60.14 113.371 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 40.4 ttm180 -89.58 137.77 32.04 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.771 -0.826 . . . . 74.43 108.771 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 117.54 30.25 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 108.264 -1.013 . . . . 63.24 108.264 -177.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CE2' HD13 ' B' ' 122' ' ' ILE . 83.8 m-85 -97.11 116.01 28.54 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.122 -0.945 . . . . 62.12 109.597 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' HB2' ' HG3' ' A' ' 6' ' ' ARG . 68.4 mtt85 -102.69 143.83 31.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 108.567 -0.901 . . . . 74.43 108.567 177.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD21 ' SG ' ' B' ' 105' ' ' CYS . 48.4 mt -107.5 124.67 50.23 Favored 'General case' 0 C--N 1.254 -3.556 0 N-CA-C 108.446 -0.946 . . . . 73.12 108.446 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 p -129.87 139.66 51.13 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.785 -1.561 . . . . 61.11 106.785 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 t -137.19 154.84 50.11 Favored 'General case' 0 N--CA 1.42 -1.955 0 C-N-CA 119.032 -1.067 . . . . 61.12 111.148 -169.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.257 1.449 0 N-CA-C 108.766 -0.827 . . . . 74.42 108.766 178.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.867 0 N-CA-C 110.469 -0.197 . . . . 42.2 110.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.509 ' HB ' ' HG3' ' B' ' 132' ' ' ARG . 89.4 m -114.6 112.47 22.96 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.32 -0.993 . . . . 63.34 108.32 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.6 m -118.68 162.8 17.82 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.959 -1.126 . . . . 73.54 107.959 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -155.49 148.84 24.87 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.656 0.265 . . . . 72.24 110.786 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' A' ' 29' ' ' LEU . 21.5 m -88.53 106.09 18.07 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.308 -0.86 . . . . 71.22 108.78 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.496 HH11 ' HA ' ' B' ' 109' ' ' ARG . 13.7 ptt180 -100.42 145.92 27.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.804 0.335 . . . . 72.21 111.226 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -88.9 0.5 56.54 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 122.885 0.474 . . . . 74.01 111.608 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -164.44 -116.19 0.36 Allowed Glycine 0 N--CA 1.421 -2.341 0 N-CA-C 110.419 -1.072 . . . . 64.21 110.419 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.496 ' HA ' HH11 ' B' ' 106' ' ' ARG . 24.9 ptt180 -104.23 167.83 9.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.361 0.601 . . . . 64.44 112.036 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 113' ' ' ARG . 7.9 p -135.99 166.9 22.26 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.121 -1.437 . . . . 73.33 107.121 174.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.16 -21.72 61.4 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.585 0.707 . . . . 70.13 109.867 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.3 t -93.33 33.93 1.19 Allowed 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.381 -0.97 . . . . 75.02 108.381 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' B' ' 110' ' ' CYS . 53.5 ttp180 -52.75 148.71 7.0 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.382 0.673 . . . . 73.31 111.192 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 80.33 0.99 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.9 1.28 . . . . 72.34 112.222 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t -100.38 37.44 1.68 Allowed 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 106.172 -1.788 . . . . 73.42 106.172 170.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.515 HD21 HG13 ' B' ' 119' ' ' VAL . 4.1 tt -78.38 121.27 24.27 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 105.873 -1.899 . . . . 75.24 105.873 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.9 p -110.15 -19.39 13.05 Favored 'General case' 0 C--N 1.272 -2.787 0 CA-C-N 114.794 -1.094 . . . . 73.31 112.868 -172.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.29 164.4 34.85 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.984 -1.246 . . . . 64.2 109.984 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.515 HG13 HD21 ' B' ' 116' ' ' LEU . 28.4 m -134.75 159.16 41.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-O 121.467 0.651 . . . . 75.41 111.538 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 4.1 p -147.55 119.64 8.26 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-N 114.469 -1.241 . . . . 62.43 109.499 173.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.483 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.7 tm-20 -97.32 122.16 40.04 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 108.061 -1.088 . . . . 72.12 108.061 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 27' ' ' TYR . 29.1 mt -134.12 126.16 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.093 0 CA-C-N 114.551 -1.204 . . . . 54.34 108.592 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 67.5 p 52.6 32.78 12.31 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 125.249 1.42 . . . . 63.14 113.159 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.97 80.22 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.867 -0.683 . . . . 62.23 112.874 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.411 ' HD2' ' CZ ' ' B' ' 127' ' ' TYR . 41.5 ttm180 -113.69 138.78 49.74 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.618 -0.882 . . . . 64.43 108.618 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.95 120.24 33.94 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 108.886 -0.783 . . . . 75.4 108.886 -177.26 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.419 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 83.6 m-85 -101.91 114.68 28.98 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.534 -0.757 . . . . 74.24 109.623 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.433 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 61.7 mtt85 -96.75 152.07 19.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.65 -0.705 . . . . 72.22 109.893 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.628 HD21 ' SG ' ' A' ' 5' ' ' CYS . 57.0 mt -113.91 123.93 50.95 Favored 'General case' 0 C--N 1.271 -2.845 0 N-CA-C 108.706 -0.85 . . . . 74.31 108.706 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 15.8 p -129.15 140.43 51.53 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.947 -1.871 . . . . 74.5 105.947 170.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.26 154.38 50.14 Favored 'General case' 0 N--CA 1.418 -2.067 0 C-N-CA 117.817 -1.553 . . . . 62.22 112.203 -168.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.509 ' HG3' ' HB ' ' B' ' 102' ' ' THR . 1.5 ptm180 . . . . . 0 N--CA 1.417 -2.102 0 CA-C-N 114.904 -1.044 . . . . 72.51 109.039 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 120.883 0.373 . . . . 62.34 110.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -120.05 111.85 18.4 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 106.927 -1.508 . . . . 72.23 106.927 173.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.55 159.86 29.67 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.918 -1.512 . . . . 72.41 106.918 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -155.67 149.14 24.92 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.846 0.355 . . . . 74.44 111.553 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' B' ' 129' ' ' LEU . 25.5 m -87.27 106.61 18.03 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.358 -0.837 . . . . 72.23 109.46 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.553 ' HD2' ' HB2' ' A' ' 28' ' ' ARG 0.284 2.8 ppt_? -109.97 136.52 49.12 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 113.453 0.909 . . . . 73.24 113.453 -179.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.2 p -87.48 7.85 27.49 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 114.384 -1.28 . . . . 71.05 111.864 -172.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.83 -108.64 0.23 Allowed Glycine 0 CA--C 1.459 -3.443 0 N-CA-C 108.305 -1.918 . . . . 75.21 108.305 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -117.57 178.5 4.37 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 109.622 -0.51 . . . . 60.42 109.622 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' HG2' ' A' ' 6' ' ' ARG . 6.7 p -146.92 166.18 27.52 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.486 -1.302 . . . . 72.15 107.486 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.16 69.47 5.36 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.64 0.733 . . . . 73.43 110.526 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t 168.95 30.74 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 126.727 2.011 . . . . 52.14 106.02 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.79 146.18 17.82 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.401 -0.818 . . . . 74.2 111.333 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.369 0.4 OUTLIER 87.12 -12.64 0.52 Allowed 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 125.141 1.376 . . . . 45.52 112.48 -173.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -90.71 68.94 6.57 Favored 'General case' 0 N--CA 1.414 -2.232 0 N-CA-C 106.375 -1.713 . . . . 63.05 106.375 166.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD21 HG13 ' A' ' 19' ' ' VAL . 3.7 tt -100.27 115.95 31.13 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 105.597 -2.001 . . . . 54.14 105.597 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -103.51 -18.47 14.77 Favored 'General case' 0 C--N 1.267 -3.007 0 CA-C-N 114.756 -1.111 . . . . 73.23 111.491 -171.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.33 164.49 34.97 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 110.538 -1.025 . . . . 73.41 110.538 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.633 HG13 HD21 ' A' ' 16' ' ' LEU . 12.3 m -138.53 156.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-O 121.415 0.626 . . . . 54.02 111.882 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 7.3 p -154.0 122.21 6.1 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.473 -1.24 . . . . 32.1 108.979 175.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.06 120.89 39.25 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.851 -1.166 . . . . 71.22 107.851 177.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.517 HD13 ' CE2' ' B' ' 127' ' ' TYR . 34.8 mt -134.04 128.0 52.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 CA-C-N 114.863 -1.062 . . . . 72.0 108.907 -172.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p 54.46 31.96 15.75 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.877 1.671 . . . . 75.2 113.145 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.54 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.713 -0.756 . . . . 73.25 112.866 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -125.69 142.07 51.7 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 108.465 -0.939 . . . . 74.5 108.465 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.04 122.98 37.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 119.835 -0.746 . . . . 71.13 109.296 -176.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 84.4 m-85 -103.98 109.09 20.72 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.477 -0.783 . . . . 72.04 110.305 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' A' ' 6' ' ' ARG . 58.0 mtt85 -96.15 139.46 32.28 Favored 'General case' 0 CA--C 1.487 -1.461 0 N-CA-C 108.332 -0.988 . . . . 72.15 108.332 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' B' ' 105' ' ' CYS . 49.6 mt -105.2 117.09 33.12 Favored 'General case' 0 C--N 1.266 -3.049 0 N-CA-C 109.054 -0.721 . . . . 72.5 109.054 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.434 ' HB3' HH21 ' A' ' 6' ' ' ARG . 8.6 p -116.1 142.73 46.43 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.186 -1.042 . . . . 63.42 108.186 173.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 t -136.07 158.6 44.01 Favored 'General case' 0 N--CA 1.411 -2.387 0 C-N-CA 118.97 -1.092 . . . . 73.25 111.125 -172.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.255 1.38 0 CA-C-N 115.324 -0.853 . . . . 65.03 109.2 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 109.724 -0.473 . . . . 72.04 109.724 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' B' ' 132' ' ' ARG . 56.6 m -116.41 112.29 21.26 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.452 -0.944 . . . . 72.21 108.452 175.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.3 m -117.16 164.25 15.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.568 -1.271 . . . . 74.03 107.568 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -158.75 150.6 21.09 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.97 -0.381 . . . . 75.42 109.97 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' A' ' 29' ' ' LEU . 34.0 m -91.39 112.98 25.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 123.777 0.673 . . . . 72.33 109.87 -175.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.446 ' HG3' ' HB2' ' B' ' 128' ' ' ARG . 13.1 ptt180 -106.38 147.94 28.66 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.379 -0.373 . . . . 60.41 110.864 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 51.9 p -87.93 -7.71 56.75 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.293 0.568 . . . . 64.4 110.99 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.506 ' HA2' ' NH1' ' B' ' 128' ' ' ARG . . . -162.3 -91.5 0.08 OUTLIER Glycine 0 N--CA 1.414 -2.785 0 N-CA-C 110.524 -1.03 . . . . 53.32 110.524 -176.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -114.28 171.63 7.5 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.389 0.614 . . . . 62.53 111.76 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.481 ' C ' ' H ' ' B' ' 112' ' ' THR . 15.0 p -147.18 168.64 21.14 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.885 -1.524 . . . . 61.1 106.885 175.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 26.24 0.06 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.434 0.635 . . . . 73.21 112.073 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.481 ' H ' ' C ' ' B' ' 110' ' ' CYS . 10.2 t -154.48 44.08 0.52 Allowed 'General case' 0 N--CA 1.423 -1.777 0 N-CA-C 107.005 -1.48 . . . . 44.23 107.005 177.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 38.1 ttt180 -59.22 149.83 27.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.156 -0.929 . . . . 72.25 109.265 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 113' ' ' ARG 0.288 1.3 mp0 85.83 -19.14 0.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.955 1.302 . . . . 75.45 112.207 -171.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t -88.81 66.14 7.9 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 107.221 -1.4 . . . . 74.34 107.221 172.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.544 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -99.47 123.04 43.39 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.455 -1.683 . . . . 74.2 106.455 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 p -114.26 -9.5 12.83 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 115.56 -0.745 . . . . 73.43 112.774 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.42 163.59 33.57 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 111.213 -0.755 . . . . 71.23 111.213 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.544 HG13 HD21 ' B' ' 116' ' ' LEU . 4.6 m -138.67 144.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 121.567 0.699 . . . . 75.52 111.688 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.86 114.7 8.58 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.892 -1.049 . . . . 75.4 109.443 174.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -97.03 108.78 21.58 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 107.039 -1.467 . . . . 74.04 107.039 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 27' ' ' TYR . 36.0 mt -118.23 129.57 74.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 CA-C-N 114.825 -1.08 . . . . 73.53 108.338 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 63.8 p 53.4 32.37 13.74 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.769 1.228 . . . . 62.33 112.066 -177.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 86.26 -11.17 63.85 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 115.746 -0.661 . . . . 61.35 113.12 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -95.6 138.69 32.92 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.94 -1.133 . . . . 75.11 107.94 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.441 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.87 122.1 36.01 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 119.184 -1.007 . . . . 60.12 109.01 -175.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.517 ' CE2' HD13 ' A' ' 22' ' ' ILE . 60.6 m-85 -103.74 109.71 21.53 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 115.539 -0.755 . . . . 74.42 110.065 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.506 ' NH1' ' HA2' ' B' ' 108' ' ' GLY . 65.0 mtt85 -89.89 150.93 21.99 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.651 -0.87 . . . . 75.33 108.651 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 5' ' ' CYS . 66.7 mt -112.25 125.33 54.04 Favored 'General case' 0 C--N 1.267 -3.001 0 N-CA-C 108.884 -0.784 . . . . 64.32 108.884 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.8 p -125.72 132.01 52.45 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 106.823 -1.547 . . . . 74.45 106.823 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 8.8 t -131.53 151.26 51.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 118.699 -1.2 . . . . 55.01 111.65 -170.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.46 ' CG ' ' HB ' ' B' ' 102' ' ' THR . 16.1 ptm180 . . . . . 0 N--CA 1.426 -1.646 0 CA-C-O 117.938 -1.03 . . . . 74.22 108.754 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 109.31 -0.626 . . . . 52.03 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -112.19 110.87 21.37 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 108.434 -0.95 . . . . 73.32 108.434 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.7 m -122.52 161.16 24.15 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 106.81 -1.552 . . . . 61.32 106.81 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -154.34 153.63 31.97 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.623 0.249 . . . . 74.23 110.845 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.67 ' SG ' HD21 ' B' ' 129' ' ' LEU . 23.8 m -94.01 106.39 18.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.408 -0.814 . . . . 54.12 109.048 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 14.2 ptt180 -99.8 147.92 24.97 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.284 -0.416 . . . . 64.11 111.054 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.6 p -90.21 5.59 46.4 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.381 0.61 . . . . 71.42 111.403 -178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -173.25 -108.73 0.22 Allowed Glycine 0 N--CA 1.424 -2.114 0 N-CA-C 110.295 -1.122 . . . . 64.55 110.295 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HA ' HH11 ' A' ' 6' ' ' ARG . 16.5 ptt180 -100.94 167.6 10.16 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.098 0.475 . . . . 73.01 111.361 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HD3' ' A' ' 6' ' ' ARG . 13.1 p -136.27 167.05 22.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.35 -1.352 . . . . 63.35 107.35 173.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 72.2 1.43 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 118.561 0.619 . . . . 72.51 112.57 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t 178.0 -60.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.79 1.236 . . . . 63.15 110.742 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 15' ' ' SER . 0.5 OUTLIER 61.69 175.42 0.12 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.901 0.881 . . . . 75.33 111.123 -172.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 69.14 -33.29 0.24 Allowed 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 123.975 0.91 . . . . 75.54 112.028 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 13' ' ' ARG . 25.1 p -85.45 32.22 0.57 Allowed 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 125.132 1.373 . . . . 75.33 111.288 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.608 HD21 HG13 ' A' ' 19' ' ' VAL . 4.0 tt -78.27 117.24 19.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.016 -1.846 . . . . 74.3 106.016 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -109.91 -6.63 15.15 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 114.84 -1.073 . . . . 55.53 112.145 -172.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.76 163.6 33.35 Favored Glycine 0 N--CA 1.423 -2.221 0 C-N-CA 120.218 -0.992 . . . . 52.04 111.971 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.608 HG13 HD21 ' A' ' 16' ' ' LEU . 7.4 m -141.69 145.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 123.233 0.613 . . . . 52.21 111.069 177.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -144.93 121.61 11.15 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.031 -0.986 . . . . 74.25 109.245 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' HD22 ' A' ' 26' ' ' LEU . 44.6 tt0 -97.86 110.65 23.18 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.073 -1.084 . . . . 63.31 108.073 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -123.25 135.14 64.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 115.164 -0.926 . . . . 72.13 108.521 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.8 p 52.59 31.84 10.72 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.791 1.237 . . . . 73.33 111.582 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.24 83.86 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.593 -0.731 . . . . 51.41 113.217 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -107.67 142.47 37.59 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.926 -1.138 . . . . 73.44 107.926 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -93.89 125.95 38.81 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 119.086 -1.046 . . . . 64.11 109.424 -176.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 78.7 m-85 -107.04 118.56 37.02 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 115.026 -0.988 . . . . 72.14 110.142 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 68.3 mtt85 -100.07 152.25 20.44 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-N 115.318 -0.855 . . . . 71.3 108.863 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.611 HD21 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.69 126.53 54.98 Favored 'General case' 0 C--N 1.268 -2.948 0 N-CA-C 109.177 -0.675 . . . . 62.3 109.177 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.24 142.02 48.33 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.86 -1.904 . . . . 62.32 105.86 171.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -127.93 148.77 50.51 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 118.609 -1.236 . . . . 72.33 110.715 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 C--N 1.308 -1.203 0 CA-C-N 115.612 -0.722 . . . . 75.11 109.675 -175.874 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.298 -0.26 . . . . 63.33 110.298 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 88.2 m -132.78 113.14 12.59 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.944 -0.761 . . . . 75.41 108.944 175.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 11.1 m -130.52 164.05 25.7 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.404 -1.702 . . . . 72.23 106.404 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' B' ' 110' ' ' CYS . 35.0 p90 -157.54 153.4 26.9 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.478 0.581 . . . . 74.31 112.153 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 29' ' ' LEU . 18.3 m -87.22 102.48 14.52 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.084 -0.962 . . . . 71.54 110.097 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 11.4 ptt180 -101.81 141.26 34.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.763 0.316 . . . . 74.21 111.071 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 63.4 p -89.36 5.15 46.4 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.409 0.623 . . . . 71.42 111.313 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.547 ' O ' ' HD2' ' B' ' 106' ' ' ARG . . . -162.51 -116.3 0.38 Allowed Glycine 0 N--CA 1.427 -1.959 0 N-CA-C 108.885 -1.686 . . . . 71.33 108.885 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.442 ' HA ' HH11 ' B' ' 106' ' ' ARG . 40.1 ptt180 -103.08 177.66 4.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.794 -0.817 . . . . 75.11 108.794 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.441 ' HB2' ' OH ' ' B' ' 104' ' ' TYR . 13.5 p -133.27 150.89 51.9 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.031 -0.729 . . . . 64.14 109.031 175.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.48 78.71 1.93 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.334 0.588 . . . . 73.55 111.469 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 10.0 t 163.73 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 126.547 1.939 . . . . 73.32 106.43 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 63.07 -75.19 0.04 OUTLIER 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.27 1.828 . . . . 72.51 109.844 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 53.02 -86.26 0.01 OUTLIER 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.165 1.786 . . . . 73.02 114.053 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' B' ' 130' ' ' CYS . 34.6 t -145.96 130.63 17.95 Favored 'General case' 0 N--CA 1.414 -2.243 0 CA-C-O 121.185 0.517 . . . . 74.15 111.584 -172.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.595 HD21 HG13 ' B' ' 119' ' ' VAL . 4.2 tt -87.75 116.77 26.13 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.383 -2.451 . . . . 65.35 104.383 170.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.9 p -107.4 -11.36 15.54 Favored 'General case' 0 C--N 1.273 -2.733 0 N-CA-C 112.969 0.729 . . . . 54.24 112.969 -172.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.74 163.83 33.71 Favored Glycine 0 N--CA 1.422 -2.257 0 N-CA-C 110.603 -0.999 . . . . 74.02 110.603 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.595 HG13 HD21 ' B' ' 116' ' ' LEU . 9.6 m -137.02 150.3 26.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 CA-C-O 121.619 0.723 . . . . 62.44 110.859 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.47 121.14 8.61 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 114.729 -1.123 . . . . 71.43 109.169 175.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.56 ' HB2' HD22 ' B' ' 126' ' ' LEU . 1.6 tm-20 -97.77 119.2 35.93 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.959 -1.126 . . . . 63.01 107.959 177.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.411 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 30.8 mt -135.87 136.21 50.13 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 N-CA-C 107.144 -1.428 . . . . 75.43 107.144 -172.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 73.4 p 53.03 31.45 11.12 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 124.729 1.212 . . . . 72.42 112.253 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.04 11.54 84.71 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.681 -0.771 . . . . 71.52 112.574 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -120.53 141.15 50.52 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.769 -1.197 . . . . 71.42 107.769 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' B' ' 121' ' ' GLU . 0.0 OUTLIER -93.85 125.97 38.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 119.358 -0.937 . . . . 61.24 109.013 -176.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -108.13 113.99 27.54 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 115.147 -0.933 . . . . 65.24 110.434 176.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' B' ' 108' ' ' GLY . 72.0 mtt85 -96.17 147.07 24.14 Favored 'General case' 0 CA--C 1.475 -1.92 0 N-CA-C 108.223 -1.029 . . . . 74.43 108.223 176.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.67 HD21 ' SG ' ' A' ' 5' ' ' CYS . 59.3 mt -108.63 120.13 41.55 Favored 'General case' 0 C--N 1.253 -3.606 0 N-CA-C 108.442 -0.947 . . . . 74.41 108.442 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' B' ' 115' ' ' SER . 24.5 p -116.55 142.46 46.86 Favored 'General case' 0 CA--C 1.48 -1.736 0 N-CA-C 106.713 -1.588 . . . . 61.15 106.713 172.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.83 145.86 44.96 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 118.687 -1.205 . . . . 72.14 109.882 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 118.232 -0.89 . . . . 74.32 110.343 -178.429 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.647 0 N-CA-C 109.687 -0.486 . . . . 60.55 109.687 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 111.92 11.08 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 109.668 -0.493 . . . . 64.32 109.668 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.7 m -128.61 167.06 17.71 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 106.666 -1.605 . . . . 62.11 106.666 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -160.23 157.55 28.42 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 117.856 0.298 . . . . 70.43 110.813 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.632 ' SG ' HD21 ' B' ' 129' ' ' LEU . 31.0 m -94.72 100.26 12.21 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.001 -0.74 . . . . 61.05 109.001 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.82 ' HD3' ' SG ' ' A' ' 30' ' ' CYS . 15.8 ptt180 -91.75 147.07 23.26 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.056 -0.72 . . . . 74.11 109.056 -178.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.3 p -90.5 4.54 50.83 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 120.838 0.351 . . . . 71.13 111.906 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.477 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -169.35 -87.3 0.07 OUTLIER Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.495 -0.859 . . . . 64.44 110.964 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.537 ' C ' ' HD2' ' A' ' 6' ' ' ARG . 39.7 ptt180 -124.95 174.14 8.18 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.357 -0.609 . . . . 71.33 109.357 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' NH1' ' A' ' 6' ' ' ARG . 23.3 p -146.31 169.77 18.13 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.453 -1.314 . . . . 70.51 107.453 177.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.0 -25.08 64.33 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.738 -0.468 . . . . 71.42 109.738 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 12' ' ' THR . 9.6 t -86.84 82.75 7.71 Favored 'General case' 0 N--CA 1.418 -2.028 0 N-CA-C 107.362 -1.347 . . . . 62.25 107.362 169.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -60.94 123.76 18.52 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 114.277 1.214 . . . . 73.13 114.277 -173.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 59.49 23.57 12.19 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 113.32 -1.764 . . . . 73.53 115.428 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -83.5 46.3 1.14 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.391 -1.337 . . . . 73.11 107.391 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 19' ' ' VAL . 3.8 tt -80.11 122.98 27.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 125.376 1.47 . . . . 72.31 108.267 -174.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -116.91 -7.24 11.43 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.811 -1.086 . . . . 74.43 112.159 -175.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.21 164.27 34.7 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 110.967 -0.853 . . . . 74.51 110.967 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.525 HG13 HD21 ' A' ' 16' ' ' LEU . 5.2 m -143.23 153.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.591 0.71 . . . . 72.32 111.867 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 6.3 p -153.62 117.71 4.81 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 114.706 -1.134 . . . . 70.13 109.566 175.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.551 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.0 119.37 35.34 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 107.946 -1.131 . . . . 54.5 107.946 178.291 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.411 HD13 ' CZ ' ' B' ' 127' ' ' TYR . 35.0 mt -132.27 126.29 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.191 0 CA-C-N 114.18 -1.373 . . . . 64.23 108.428 -172.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p 54.25 32.53 16.31 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 125.468 1.507 . . . . 53.15 113.497 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.65 79.13 Favored Glycine 0 C--O 1.239 0.41 0 C-N-CA 121.259 -0.496 . . . . 54.15 112.892 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -108.83 137.29 46.99 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.482 -0.932 . . . . 75.5 108.482 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.03 116.58 29.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.345 -0.983 . . . . 65.51 108.345 -176.221 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE2' HD13 ' B' ' 122' ' ' ILE . 83.9 m-85 -96.01 115.05 26.83 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.661 -0.7 . . . . 64.42 110.113 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 62.5 mtt85 -100.69 141.76 33.11 Favored 'General case' 0 CA--C 1.47 -2.098 0 CA-C-N 115.306 -0.861 . . . . 73.24 109.385 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.612 HD21 ' SG ' ' B' ' 105' ' ' CYS . 46.5 mt -105.16 113.78 27.58 Favored 'General case' 0 C--N 1.26 -3.32 0 N-CA-C 108.36 -0.978 . . . . 50.24 108.36 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.82 ' SG ' ' HD3' ' A' ' 6' ' ' ARG . 13.9 p -119.01 125.16 48.72 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.703 -1.221 . . . . 74.24 107.703 172.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -116.7 152.76 33.63 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.531 -0.914 . . . . 61.14 108.531 -173.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 . . . . . 0 C--N 1.315 -0.894 0 C-N-CA 119.397 -0.921 . . . . 72.12 111.664 -174.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.794 0 CA-C-O 120.976 0.417 . . . . 74.11 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.421 ' HB ' ' NE ' ' B' ' 132' ' ' ARG . 94.4 m -128.37 112.69 14.69 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.795 -0.817 . . . . 55.23 108.795 172.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.11 162.11 18.73 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 106.743 -1.577 . . . . 75.1 106.743 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -155.25 146.78 23.04 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 120.592 0.234 . . . . 73.41 110.479 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.612 ' SG ' HD21 ' A' ' 29' ' ' LEU . 31.8 m -84.82 104.15 14.53 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.444 -0.798 . . . . 54.02 109.665 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.471 HH11 ' HA ' ' B' ' 109' ' ' ARG . 11.1 ptt180 -97.95 144.23 27.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.285 -0.416 . . . . 73.33 110.533 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 42.2 p -90.05 0.74 56.97 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.408 0.623 . . . . 53.22 110.644 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -160.31 -108.51 0.24 Allowed Glycine 0 N--CA 1.417 -2.63 0 N-CA-C 109.703 -1.359 . . . . 73.34 109.703 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.471 ' HA ' HH11 ' B' ' 106' ' ' ARG . 36.1 ptt180 -116.61 178.11 4.45 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.446 0.641 . . . . 73.44 111.725 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 9.9 p -144.97 169.9 17.18 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 106.225 -1.769 . . . . 62.25 106.225 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.42 -25.42 64.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.95 0.796 . . . . 63.01 111.181 -172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 12.1 t -85.84 38.43 0.75 Allowed 'General case' 0 CA--C 1.571 1.764 0 CA-C-O 121.641 0.734 . . . . 64.33 109.065 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -56.11 92.18 0.01 OUTLIER 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.707 1.203 . . . . 74.41 110.349 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 171.79 -54.08 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 103.912 -2.625 . . . . 74.11 103.912 -173.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m -82.53 81.5 8.31 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-N 114.75 -1.114 . . . . 63.24 112.926 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.615 HD21 HG13 ' B' ' 119' ' ' VAL . 4.0 tt -100.89 113.98 27.43 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 105.405 -2.072 . . . . 50.23 105.405 170.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 39.4 p -107.79 -7.41 16.33 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.827 -0.624 . . . . 73.05 112.646 -171.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.75 163.52 33.23 Favored Glycine 0 N--CA 1.425 -2.094 0 C-N-CA 120.535 -0.84 . . . . 64.5 111.416 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.615 HG13 HD21 ' B' ' 116' ' ' LEU . 4.5 m -142.12 147.09 21.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 C-N-CA 123.332 0.653 . . . . 71.0 110.866 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 p -145.13 117.89 8.69 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-N 114.8 -1.091 . . . . 73.32 109.275 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -97.14 108.32 21.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.872 -1.159 . . . . 71.42 107.872 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.475 HD13 ' CE2' ' A' ' 27' ' ' TYR . 44.1 mt -123.31 131.74 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 CA-C-N 114.5 -1.227 . . . . 74.1 108.83 -172.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 59.6 p 53.44 32.26 13.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.616 1.166 . . . . 62.41 111.706 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.07 -17.85 44.12 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.624 -0.716 . . . . 70.23 113.116 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -93.7 140.61 29.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 108.982 -0.747 . . . . 64.35 108.982 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.435 HD11 ' HB ' ' B' ' 119' ' ' VAL . 0.0 OUTLIER -93.74 119.21 32.43 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 108.474 -0.935 . . . . 61.22 108.474 -176.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.411 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 94.4 m-85 -101.68 119.74 39.25 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.368 -0.833 . . . . 61.15 109.303 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.44 ' HB2' ' HG3' ' B' ' 106' ' ' ARG . 59.7 mtt85 -101.58 154.56 18.75 Favored 'General case' 0 CA--C 1.474 -1.957 0 CA-C-N 116.061 -0.518 . . . . 75.23 109.681 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.632 HD21 ' SG ' ' A' ' 5' ' ' CYS . 51.9 mt -118.08 125.47 50.37 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 115.761 -0.654 . . . . 75.12 109.35 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.0 p -123.95 141.16 52.28 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.206 -1.405 . . . . 71.55 107.206 169.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 6.6 t -140.01 150.98 45.09 Favored 'General case' 0 N--CA 1.423 -1.776 0 C-N-CA 118.369 -1.332 . . . . 75.2 110.597 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.421 ' NE ' ' HB ' ' B' ' 102' ' ' THR . 26.2 ptt180 . . . . . 0 N--CA 1.433 -1.31 0 CA-C-O 118.547 -0.74 . . . . 74.3 109.833 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 109.926 -0.398 . . . . 63.51 109.926 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m -125.25 111.96 15.84 Favored 'General case' 0 N--CA 1.423 -1.803 0 N-CA-C 107.911 -1.144 . . . . 72.33 107.911 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.56 160.79 27.58 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 105.815 -1.92 . . . . 73.34 105.815 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.467 ' OH ' ' HB2' ' A' ' 10' ' ' CYS . 31.9 p90 -153.92 154.85 34.57 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 118.406 0.548 . . . . 72.32 112.213 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.68 ' SG ' HD21 ' B' ' 129' ' ' LEU . 21.4 m -91.98 110.52 21.88 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.955 -1.021 . . . . 32.41 109.227 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.504 ' HD3' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -121.21 149.95 42.07 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.358 -0.978 . . . . 73.35 108.358 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.503 HG21 ' NE ' ' A' ' 25' ' ' ARG . 41.4 p -90.34 11.03 22.63 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 121.269 0.557 . . . . 73.22 112.374 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' HD2' ' A' ' 28' ' ' ARG . . . -159.4 -115.52 0.41 Allowed Glycine 0 N--CA 1.421 -2.362 0 N-CA-C 110.48 -1.048 . . . . 75.44 110.48 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HD2' ' CZ ' ' A' ' 13' ' ' ARG . 36.0 ptt180 -105.66 171.52 7.29 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 109.797 -0.446 . . . . 75.34 109.797 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB2' ' OH ' ' A' ' 4' ' ' TYR . 30.4 p -141.16 164.25 30.76 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 120.723 -0.391 . . . . 73.43 110.39 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 12' ' ' THR . . . -73.24 82.8 1.36 Allowed 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.433 0.635 . . . . 62.03 112.218 -177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 10.7 t 166.65 -38.85 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 126.062 1.745 . . . . 54.33 107.672 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' CZ ' ' HD2' ' A' ' 9' ' ' ARG . 55.9 mmt-85 60.38 -173.97 0.12 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.911 1.284 . . . . 71.23 111.146 -178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 67.94 -43.04 0.47 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.076 1.88 . . . . 65.21 116.076 170.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -91.97 90.4 7.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.192 0.52 . . . . 55.21 111.521 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 19' ' ' VAL . 4.4 tt -100.2 109.53 21.77 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 104.616 -2.365 . . . . 75.34 104.616 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 p -103.98 -9.53 18.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 115.271 -0.877 . . . . 64.52 112.8 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.01 164.16 34.05 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 110.999 -0.841 . . . . 65.42 110.999 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG13 HD21 ' A' ' 16' ' ' LEU . 5.9 m -142.01 145.93 23.4 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.259 0.552 . . . . 74.24 111.22 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 p -144.96 119.48 9.7 Favored 'General case' 0 C--N 1.275 -2.643 0 CA-C-N 114.852 -1.067 . . . . 74.31 109.47 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB2' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -97.25 122.55 40.39 Favored 'General case' 0 N--CA 1.413 -2.299 0 N-CA-C 107.709 -1.219 . . . . 63.31 107.709 178.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' B' ' 127' ' ' TYR . 39.0 mt -133.72 128.67 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 CA-C-N 114.338 -1.301 . . . . 75.34 108.003 -172.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.9 p 51.68 32.05 8.76 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 125.697 1.599 . . . . 73.51 113.428 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.61 72.25 Favored Glycine 0 C--O 1.241 0.562 0 C-N-CA 120.728 -0.748 . . . . 71.44 112.574 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NE ' HG21 ' A' ' 7' ' ' THR . 61.4 ttt180 -127.69 137.92 52.64 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 106.97 -1.492 . . . . 70.11 106.97 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.33 120.51 34.68 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.989 -0.684 . . . . 65.25 109.866 -173.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' CZ ' HD13 ' B' ' 122' ' ' ILE . 70.4 m-85 -100.91 116.86 33.77 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.771 -0.65 . . . . 74.11 110.236 174.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' GLY . 75.3 mtt85 -96.25 152.96 18.09 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.821 -0.807 . . . . 63.13 108.821 176.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.652 HD21 ' SG ' ' B' ' 105' ' ' CYS . 60.1 mt -114.09 133.05 55.8 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.39 -0.967 . . . . 70.42 108.39 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.11 142.84 48.91 Favored 'General case' 0 CA--C 1.479 -1.776 0 N-CA-C 106.182 -1.785 . . . . 64.13 106.182 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -133.85 140.06 46.63 Favored 'General case' 0 N--CA 1.414 -2.259 0 C-N-CA 117.948 -1.501 . . . . 74.52 111.832 -174.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.256 1.408 0 CA-C-N 114.817 -1.083 . . . . 61.15 109.561 -178.348 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.422 0 CA-C-O 120.74 0.305 . . . . 63.14 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 58.4 m -114.46 111.18 21.01 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 108.279 -1.008 . . . . 71.2 108.279 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 44.9 m -122.02 158.09 29.92 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.212 -1.403 . . . . 31.2 107.212 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -154.82 146.87 23.63 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.178 0.513 . . . . 60.52 112.139 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' CYS . . . . . 0.652 ' SG ' HD21 ' A' ' 29' ' ' LEU . 22.8 m -86.13 123.94 31.99 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 114.597 -1.183 . . . . 64.44 108.332 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' B' ' 106' ' ' ARG . 0.0 OUTLIER -132.98 151.05 52.11 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.392 -0.596 . . . . 62.42 109.392 178.187 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' B' ' 126' ' ' LEU . 38.9 p -85.01 0.12 52.52 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 112.456 0.539 . . . . 71.41 112.456 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.55 -121.4 0.78 Allowed Glycine 0 N--CA 1.425 -2.096 0 N-CA-C 110.236 -1.145 . . . . 64.04 110.236 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -98.6 178.37 5.02 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.701 -0.852 . . . . 73.55 108.701 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 28.1 p -141.91 155.01 45.51 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.361 -0.607 . . . . 71.33 109.361 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.67 85.89 3.32 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 121.36 0.6 . . . . 61.12 111.058 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.7 t 170.37 -39.84 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 125.897 1.679 . . . . 74.52 106.669 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 53.82 -158.0 0.17 Allowed 'General case' 0 C--N 1.359 1.002 0 CA-C-N 115.191 -0.913 . . . . 74.33 111.247 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 72.61 -57.64 0.62 Allowed 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 125.421 1.488 . . . . 73.51 113.532 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.2 t -108.3 88.11 2.65 Favored 'General case' 0 N--CA 1.419 -1.981 0 N-CA-C 113.678 0.992 . . . . 73.32 113.678 -174.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.403 HD21 HG13 ' B' ' 119' ' ' VAL . 3.7 tt -90.28 112.01 23.4 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 103.323 -2.843 . . . . 70.12 103.323 166.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 28.9 p -105.24 -9.39 17.71 Favored 'General case' 0 C--N 1.27 -2.864 0 N-CA-C 113.715 1.006 . . . . 51.1 113.715 -167.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.19 164.34 34.2 Favored Glycine 0 N--CA 1.419 -2.477 0 C-N-CA 120.334 -0.936 . . . . 53.04 111.066 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.403 HG13 HD21 ' B' ' 116' ' ' LEU . 5.2 m -136.98 144.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 C-N-CA 123.157 0.583 . . . . 70.1 110.29 175.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' CYS . . . . . . . . . . . . . 7.5 p -142.99 117.17 9.52 Favored 'General case' 0 C--N 1.278 -2.53 0 CA-C-N 115.253 -0.885 . . . . 43.53 109.224 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.488 ' HB2' HD22 ' B' ' 126' ' ' LEU . 0.6 OUTLIER -97.51 121.86 39.91 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 107.498 -1.297 . . . . 74.12 107.498 178.412 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' ILE . . . . . 0.431 HD13 ' CZ ' ' A' ' 27' ' ' TYR . 28.4 mt -134.74 131.72 53.76 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 114.385 -1.279 . . . . 72.52 107.886 -172.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 77.6 p 53.47 31.27 11.92 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.176 1.39 . . . . 73.2 113.287 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.48 71.64 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.079 -0.581 . . . . 24.35 111.652 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ARG . . . . . 0.474 ' HE ' HG21 ' B' ' 107' ' ' THR . 77.5 ttt180 -131.57 136.16 47.58 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.65 -1.611 . . . . 71.03 106.65 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' B' ' 107' ' ' THR . 0.0 OUTLIER -94.16 128.28 40.49 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.207 -0.997 . . . . 75.34 109.64 -175.101 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 22' ' ' ILE . 77.2 m-85 -111.9 106.69 15.47 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.448 -0.796 . . . . 72.55 110.237 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.405 ' C ' ' HE ' ' B' ' 106' ' ' ARG . 54.1 mtt85 -86.95 153.77 21.32 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 108.656 -0.868 . . . . 75.23 108.656 175.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.68 HD21 ' SG ' ' A' ' 5' ' ' CYS . 70.2 mt -115.94 131.73 56.85 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 109.034 -0.728 . . . . 75.32 109.034 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 28.2 p -133.38 143.47 48.96 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 106.177 -1.786 . . . . 75.12 106.177 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' CYS . . . . . . . . . . . . . 10.1 t -139.13 152.29 47.35 Favored 'General case' 0 N--CA 1.413 -2.303 0 C-N-CA 118.745 -1.182 . . . . 62.33 110.669 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.421 -1.883 0 CA-C-O 118.066 -0.969 . . . . 71.3 108.894 179.929 . . . . . . . . 0 0 . 1 stop_ save_